
     Program PHONON v.6.0 (svn rev. 13188M) starts on  7Dec2016 at 16:44:46 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     4 processors
     R & G space division:  proc/nbgrp/npool/nimage =       4


     Dynamical matrices for q-points given in input
     (  17q-points):
       N         xq(1)         xq(2)         xq(3) 
       1   0.000000000   0.000000000   0.000000000
       2   0.250000000   0.000000000   0.000000000
       3   0.500000000   0.000000000   0.000000000
       4   0.750000000   0.000000000   0.000000000
       5   1.000000000   0.000000000   0.000000000
       6   1.000000000   0.250000000   0.000000000
       7   1.000000000   0.500000000   0.000000000
       8   1.000000000   0.750000000   0.000000000
       9   1.000000000   1.000000000   0.000000000
      10   0.750000000   0.750000000   0.000000000
      11   0.500000000   0.500000000   0.000000000
      12   0.250000000   0.250000000   0.000000000
      13   0.000000000   0.000000000   0.000000000
      14   0.125000000   0.125000000   0.125000000
      15   0.250000000   0.250000000   0.250000000
      16   0.375000000   0.375000000   0.375000000
      17   0.500000000   0.500000000   0.500000000

     Reading data from directory:
     /home/pietro/espresso-svn/tempdir/aluminum.save

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     IMPORTANT: XC functional enforced from input :
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)
     Any further DFT definition will be discarded
     Please, verify this is what you really want


     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     10                  216      216      45
     Max          31      31     11                  218      218      46
     Sum         121     121     43                  869      869     181


     Calculation of q =    0.0000000   0.0000000   0.0000000

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.0000000   0.0000000 )

     49 Sym.Ops. (with q -> -q+G )


     G cutoff =   85.4897  (    217 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=    29  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, O_h (m-3m)  point group:


     Atomic displacements:
     There are   1 irreducible representations

     Representation     1      3 modes -T_1u G_15  G_4-  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     0.22s CPU         0.25s WALL



     Representation #  1 modes #   1  2  3

     Self-consistent Calculation

     Pert. #  1: Fermi energy shift (Ry) =    -5.5145E-25     1.2539E-37
     Pert. #  2: Fermi energy shift (Ry) =    -5.3767E-24     1.0971E-37
     Pert. #  3: Fermi energy shift (Ry) =     3.1019E-24    -4.3885E-37

      iter #   1 total cpu time :     0.3 secs   av.it.:   3.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.257E-08

     Pert. #  1: Fermi energy shift (Ry) =     2.2058E-24     1.2245E-40
     Pert. #  2: Fermi energy shift (Ry) =    -1.3786E-24    -1.2857E-39
     Pert. #  3: Fermi energy shift (Ry) =    -4.8942E-24    -2.4489E-40

      iter #   2 total cpu time :     0.4 secs   av.it.:   5.5
      thresh= 1.121E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.314E-09

     Pert. #  1: Fermi energy shift (Ry) =     1.9301E-24     5.8162E-40
     Pert. #  2: Fermi energy shift (Ry) =     1.9301E-24     3.6734E-40
     Pert. #  3: Fermi energy shift (Ry) =     1.7922E-24     5.5101E-40

      iter #   3 total cpu time :     0.5 secs   av.it.:   5.3
      thresh= 3.625E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.570E-13

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    1
     List of q in the star:
          1   0.000000000   0.000000000   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.000000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       0.173268 [THz] =       5.779601 [cm-1]
     freq (    2) =       0.173268 [THz] =       5.779601 [cm-1]
     freq (    3) =       0.173268 [THz] =       5.779601 [cm-1]
 **************************************************************************

     Mode symmetry, O_h (m-3m)  point group:

     freq (  1 -  3) =          5.8  [cm-1]   --> T_1u G_15  G_4- I  

     Calculation of q =    0.2500000   0.0000000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     13                  216      216      64
     Max          31      31     14                  218      218      65
     Sum         121     121     55                  869      869     259


     Title: 
     Phonon dispersions for Al                                                  


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   200  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.12Mb

     Estimated total allocated dynamical RAM >       0.47Mb

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.3

     total cpu time spent up to now is        1.3 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     8.1776 ev

     Writing output data file aluminum.save

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.2500000   0.0000000   0.0000000 )

      8 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    218 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   200  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_4v (4mm)  point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_1  G_1 D_1  To be done

     Representation     2      2 modes -E    G_5 D_5  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     1.61s CPU         2.06s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :     2.2 secs   av.it.:   4.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.161E-01

      iter #   2 total cpu time :     2.2 secs   av.it.:   5.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.508E+02

      iter #   3 total cpu time :     2.3 secs   av.it.:   5.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.040E-03

      iter #   4 total cpu time :     2.4 secs   av.it.:   2.3
      thresh= 3.225E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.605E-09

      iter #   5 total cpu time :     2.5 secs   av.it.:   6.0
      thresh= 4.006E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.573E-10

      iter #   6 total cpu time :     2.5 secs   av.it.:   4.6
      thresh= 2.564E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.938E-09

      iter #   7 total cpu time :     2.6 secs   av.it.:   1.9
      thresh= 6.276E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.814E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :     2.8 secs   av.it.:   3.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.756E-08

      iter #   2 total cpu time :     2.9 secs   av.it.:   5.8
      thresh= 1.938E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.112E-09

      iter #   3 total cpu time :     3.1 secs   av.it.:   5.6
      thresh= 5.578E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.517E-11

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    6
     List of q in the star:
          1   0.250000000   0.000000000   0.000000000
          2   0.000000000   0.000000000  -0.250000000
          3  -0.250000000   0.000000000   0.000000000
          4   0.000000000  -0.250000000   0.000000000
          5   0.000000000   0.250000000   0.000000000
          6   0.000000000   0.000000000   0.250000000

     Diagonalizing the dynamical matrix

     q = (    0.250000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       2.295340 [THz] =      76.564292 [cm-1]
     freq (    2) =       2.295340 [THz] =      76.564292 [cm-1]
     freq (    3) =       4.003114 [THz] =     133.529518 [cm-1]
 **************************************************************************

     Mode symmetry, C_4v (4mm)  point group:

     freq (  1 -  2) =         76.6  [cm-1]   --> E    G_5 D_5       
     freq (  3 -  3) =        133.5  [cm-1]   --> A_1  G_1 D_1       

     Calculation of q =    0.5000000   0.0000000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     13                  216      216      64
     Max          31      31     14                  218      218      65
     Sum         121     121     55                  869      869     259


     Title: 
     Phonon dispersions for Al                                                  


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   200  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.12Mb

     Estimated total allocated dynamical RAM >       0.47Mb

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.4

     total cpu time spent up to now is        2.6 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     8.1776 ev

     Writing output data file aluminum.save

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.5000000   0.0000000   0.0000000 )

      8 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    218 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   200  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_4v (4mm)  point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_1  G_1 D_1  To be done

     Representation     2      2 modes -E    G_5 D_5  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     3.52s CPU         4.48s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :     4.6 secs   av.it.:   3.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.373E-03

      iter #   2 total cpu time :     4.6 secs   av.it.:   4.5
      thresh= 9.151E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.998E-01

      iter #   3 total cpu time :     4.7 secs   av.it.:   4.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.921E-08

      iter #   4 total cpu time :     4.8 secs   av.it.:   5.5
      thresh= 2.433E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.233E-09

      iter #   5 total cpu time :     4.9 secs   av.it.:   5.0
      thresh= 4.725E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.755E-10

      iter #   6 total cpu time :     4.9 secs   av.it.:   4.3
      thresh= 1.325E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.299E-12

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :     5.1 secs   av.it.:   3.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.925E-08

      iter #   2 total cpu time :     5.3 secs   av.it.:   6.0
      thresh= 2.987E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.125E-09

      iter #   3 total cpu time :     5.4 secs   av.it.:   5.5
      thresh= 5.590E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.745E-10

      iter #   4 total cpu time :     5.6 secs   av.it.:   5.3
      thresh= 1.321E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.782E-14

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    6
     List of q in the star:
          1   0.500000000   0.000000000   0.000000000
          2   0.000000000   0.000000000  -0.500000000
          3  -0.500000000   0.000000000   0.000000000
          4   0.000000000  -0.500000000   0.000000000
          5   0.000000000   0.500000000   0.000000000
          6   0.000000000   0.000000000   0.500000000

     Diagonalizing the dynamical matrix

     q = (    0.500000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       4.200405 [THz] =     140.110420 [cm-1]
     freq (    2) =       4.200405 [THz] =     140.110420 [cm-1]
     freq (    3) =       6.477521 [THz] =     216.066843 [cm-1]
 **************************************************************************

     Mode symmetry, C_4v (4mm)  point group:

     freq (  1 -  2) =        140.1  [cm-1]   --> E    G_5 D_5       
     freq (  3 -  3) =        216.1  [cm-1]   --> A_1  G_1 D_1       

     Calculation of q =    0.7500000   0.0000000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     13                  216      216      70
     Max          31      31     14                  218      218      71
     Sum         121     121     55                  869      869     283


     Title: 
     Phonon dispersions for Al                                                  


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   200  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.12Mb

     Estimated total allocated dynamical RAM >       0.47Mb

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.4

     total cpu time spent up to now is        4.0 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     8.1776 ev

     Writing output data file aluminum.save

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.7500000   0.0000000   0.0000000 )

      8 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    218 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   200  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_4v (4mm)  point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_1  G_1 D_1  To be done

     Representation     2      2 modes -E    G_5 D_5  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     5.50s CPU         6.98s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :     7.1 secs   av.it.:   3.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.116E-04

      iter #   2 total cpu time :     7.1 secs   av.it.:   4.9
      thresh= 2.029E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.169E-03

      iter #   3 total cpu time :     7.2 secs   av.it.:   4.2
      thresh= 3.419E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.795E-08

      iter #   4 total cpu time :     7.3 secs   av.it.:   5.6
      thresh= 1.948E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.370E-09

      iter #   5 total cpu time :     7.4 secs   av.it.:   5.1
      thresh= 3.701E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.803E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :     7.6 secs   av.it.:   3.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.058E-07

      iter #   2 total cpu time :     7.8 secs   av.it.:   6.0
      thresh= 4.537E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.203E-09

      iter #   3 total cpu time :     8.0 secs   av.it.:   5.4
      thresh= 5.660E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.160E-10

      iter #   4 total cpu time :     8.1 secs   av.it.:   5.4
      thresh= 1.778E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.256E-14

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    6
     List of q in the star:
          1   0.750000000   0.000000000   0.000000000
          2   0.000000000   0.000000000  -0.750000000
          3  -0.750000000   0.000000000   0.000000000
          4   0.000000000  -0.750000000   0.000000000
          5   0.000000000   0.750000000   0.000000000
          6   0.000000000   0.000000000   0.750000000

     Diagonalizing the dynamical matrix

     q = (    0.750000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       5.476292 [THz] =     182.669434 [cm-1]
     freq (    2) =       5.476292 [THz] =     182.669434 [cm-1]
     freq (    3) =       8.602188 [THz] =     286.938116 [cm-1]
 **************************************************************************

     Mode symmetry, C_4v (4mm)  point group:

     freq (  1 -  2) =        182.7  [cm-1]   --> E    G_5 D_5       
     freq (  3 -  3) =        286.9  [cm-1]   --> A_1  G_1 D_1       

     Calculation of q =    1.0000000   0.0000000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     15                  216      216      82
     Max          31      31     16                  218      218      83
     Sum         121     121     61                  869      869     331


     Title: 
     Phonon dispersions for Al                                                  


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   118  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.12Mb

     Estimated total allocated dynamical RAM >       0.47Mb

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.3

     total cpu time spent up to now is        4.9 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     8.1776 ev

     Writing output data file aluminum.save

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   1.0000000   0.0000000   0.0000000 )

     17 Sym.Ops. (with q -> -q+G )


     G cutoff =   85.4897  (    218 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   118  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, D_4h(4/mmm) point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_2u X_4' M_4'  To be done

     Representation     2      2 modes -E_u  X_5' M_5'  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     7.14s CPU         9.02s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :     9.1 secs   av.it.:   3.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.091E-05

      iter #   2 total cpu time :     9.1 secs   av.it.:   5.1
      thresh= 7.804E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.345E-05

      iter #   3 total cpu time :     9.2 secs   av.it.:   4.9
      thresh= 4.843E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.558E-09

      iter #   4 total cpu time :     9.2 secs   av.it.:   5.1
      thresh= 6.752E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.522E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :     9.4 secs   av.it.:   3.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.777E-07

      iter #   2 total cpu time :     9.5 secs   av.it.:   5.9
      thresh= 5.269E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.915E-09

      iter #   3 total cpu time :     9.6 secs   av.it.:   5.6
      thresh= 6.257E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.696E-10

      iter #   4 total cpu time :     9.7 secs   av.it.:   5.4
      thresh= 1.922E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.624E-14

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    3
     List of q in the star:
          1   1.000000000   0.000000000   0.000000000
          2   0.000000000   1.000000000   0.000000000
          3   0.000000000   0.000000000  -1.000000000

     Diagonalizing the dynamical matrix

     q = (    1.000000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       6.062737 [THz] =     202.231147 [cm-1]
     freq (    2) =       6.062737 [THz] =     202.231147 [cm-1]
     freq (    3) =       9.881054 [THz] =     329.596486 [cm-1]
 **************************************************************************

     Mode symmetry, D_4h(4/mmm) point group:

     freq (  1 -  2) =        202.2  [cm-1]   --> E_u  X_5' M_5'     
     freq (  3 -  3) =        329.6  [cm-1]   --> A_2u X_4' M_4'     

     Calculation of q =    1.0000000   0.2500000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     15                  216      216      82
     Max          31      31     16                  218      218      83
     Sum         121     121     61                  869      869     331


     Title: 
     Phonon dispersions for Al                                                  


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.12Mb

     Estimated total allocated dynamical RAM >       0.47Mb

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.3

     total cpu time spent up to now is        7.0 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     8.1776 ev

     Writing output data file aluminum.save

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   1.0000000   0.2500000   0.0000000 )

      4 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    218 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_2v (mm2)  point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A_1  D_1  S_1  To be done

     Representation     2      1 modes -B_1  D_3  S_3  To be done

     Representation     3      1 modes -B_2  D_4  S_4  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     9.57s CPU        12.02s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    12.2 secs   av.it.:   3.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.672E-06

      iter #   2 total cpu time :    12.3 secs   av.it.:   5.6
      thresh= 2.162E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.624E-07

      iter #   3 total cpu time :    12.5 secs   av.it.:   5.4
      thresh= 9.286E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.646E-08

      iter #   4 total cpu time :    12.6 secs   av.it.:   5.4
      thresh= 1.283E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.309E-10

      iter #   5 total cpu time :    12.7 secs   av.it.:   5.3
      thresh= 2.512E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.983E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    12.9 secs   av.it.:   3.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.976E-05

      iter #   2 total cpu time :    13.0 secs   av.it.:   5.2
      thresh= 7.054E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.931E-05

      iter #   3 total cpu time :    13.2 secs   av.it.:   5.0
      thresh= 4.394E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.531E-09

      iter #   4 total cpu time :    13.3 secs   av.it.:   5.2
      thresh= 6.732E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.998E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    13.5 secs   av.it.:   3.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.954E-06

      iter #   2 total cpu time :    13.6 secs   av.it.:   5.3
      thresh= 1.989E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.065E-07

      iter #   3 total cpu time :    13.8 secs   av.it.:   5.2
      thresh= 4.544E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.498E-09

      iter #   4 total cpu time :    13.9 secs   av.it.:   5.1
      thresh= 4.998E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.267E-12

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =   12
     List of q in the star:
          1   1.000000000   0.250000000   0.000000000
          2   1.000000000  -0.250000000   0.000000000
          3   1.000000000   0.000000000   0.250000000
          4   1.000000000   0.000000000  -0.250000000
          5   0.250000000   1.000000000   0.000000000
          6  -0.250000000   0.000000000  -1.000000000
          7   0.250000000   0.000000000  -1.000000000
          8   0.000000000  -1.000000000  -0.250000000
          9   0.000000000  -1.000000000   0.250000000
         10   0.000000000  -0.250000000   1.000000000
         11   0.000000000   0.250000000   1.000000000
         12  -0.250000000  -1.000000000   0.000000000

     Diagonalizing the dynamical matrix

     q = (    1.000000000   0.250000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       6.481361 [THz] =     216.194946 [cm-1]
     freq (    2) =       6.670018 [THz] =     222.487860 [cm-1]
     freq (    3) =       8.841809 [THz] =     294.930986 [cm-1]
 **************************************************************************

     Mode symmetry, C_2v (mm2)  point group:

     freq (  1 -  1) =        216.2  [cm-1]   --> A_1  D_1  S_1      
     freq (  2 -  2) =        222.5  [cm-1]   --> B_2  D_4  S_4      
     freq (  3 -  3) =        294.9  [cm-1]   --> B_1  D_3  S_3      

     Calculation of q =    1.0000000   0.5000000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     15                  216      216      82
     Max          31      31     16                  218      218      83
     Sum         121     121     61                  869      869     331


     Title: 
     Phonon dispersions for Al                                                  


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   174  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.12Mb

     Estimated total allocated dynamical RAM >       0.47Mb

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.4

     total cpu time spent up to now is        8.3 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     8.1776 ev

     Writing output data file aluminum.save

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   1.0000000   0.5000000   0.0000000 )

      8 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    218 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   174  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, D_2d (-42m) point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -B_2  X_3  W_2  To be done

     Representation     2      2 modes -E    X_5  W_3  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :    12.00s CPU        15.13s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    15.2 secs   av.it.:   3.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.362E-06

      iter #   2 total cpu time :    15.3 secs   av.it.:   5.5
      thresh= 2.892E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.288E-06

      iter #   3 total cpu time :    15.4 secs   av.it.:   5.4
      thresh= 1.135E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.422E-09

      iter #   4 total cpu time :    15.4 secs   av.it.:   5.3
      thresh= 5.850E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.893E-12

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :    15.6 secs   av.it.:   3.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.832E-06

      iter #   2 total cpu time :    15.8 secs   av.it.:   6.0
      thresh= 2.198E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.025E-06

      iter #   3 total cpu time :    16.0 secs   av.it.:   5.7
      thresh= 1.013E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.298E-10

      iter #   4 total cpu time :    16.1 secs   av.it.:   5.7
      thresh= 3.049E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.381E-12

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    6
     List of q in the star:
          1   1.000000000   0.500000000   0.000000000
          2  -1.000000000  -0.500000000   0.000000000
          3  -1.000000000   0.000000000   0.500000000
          4  -1.000000000   0.000000000  -0.500000000
          5   0.500000000   1.000000000   0.000000000
          6   0.500000000   0.000000000  -1.000000000

     Diagonalizing the dynamical matrix

     q = (    1.000000000   0.500000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       6.453937 [THz] =     215.280174 [cm-1]
     freq (    2) =       7.608321 [THz] =     253.786285 [cm-1]
     freq (    3) =       7.608321 [THz] =     253.786285 [cm-1]
 **************************************************************************

     Mode symmetry, D_2d (-42m) point group:

     freq (  1 -  1) =        215.3  [cm-1]   --> B_2  X_3  W_2      
     freq (  2 -  3) =        253.8  [cm-1]   --> E    X_5  W_3      

     Calculation of q =    1.0000000   0.7500000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     15                  216      216      82
     Max          31      31     16                  218      218      83
     Sum         121     121     61                  869      869     331


     Title: 
     Phonon dispersions for Al                                                  


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.12Mb

     Estimated total allocated dynamical RAM >       0.47Mb

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.3

     total cpu time spent up to now is       10.5 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     8.1776 ev

     Writing output data file aluminum.save

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   1.0000000   0.7500000   0.0000000 )

      4 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    218 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_2v (mm2)  point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A_1  D_1  S_1  To be done

     Representation     2      1 modes -B_1  D_3  S_3  To be done

     Representation     3      1 modes -B_2  D_4  S_4  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :    14.82s CPU        18.55s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    18.7 secs   av.it.:   3.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.672E-06

      iter #   2 total cpu time :    18.9 secs   av.it.:   5.6
      thresh= 2.161E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.616E-07

      iter #   3 total cpu time :    19.0 secs   av.it.:   5.4
      thresh= 9.282E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.647E-08

      iter #   4 total cpu time :    19.2 secs   av.it.:   5.4
      thresh= 1.283E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.308E-10

      iter #   5 total cpu time :    19.3 secs   av.it.:   5.3
      thresh= 2.512E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.030E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    19.5 secs   av.it.:   3.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.954E-06

      iter #   2 total cpu time :    19.6 secs   av.it.:   5.3
      thresh= 1.989E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.065E-07

      iter #   3 total cpu time :    19.8 secs   av.it.:   5.2
      thresh= 4.545E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.498E-09

      iter #   4 total cpu time :    19.9 secs   av.it.:   5.2
      thresh= 4.998E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.271E-12

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    20.1 secs   av.it.:   3.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.976E-05

      iter #   2 total cpu time :    20.3 secs   av.it.:   5.2
      thresh= 7.054E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.931E-05

      iter #   3 total cpu time :    20.4 secs   av.it.:   5.0
      thresh= 4.394E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.530E-09

      iter #   4 total cpu time :    20.6 secs   av.it.:   5.2
      thresh= 6.731E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.991E-11

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =   12
     List of q in the star:
          1   1.000000000   0.750000000   0.000000000
          2   0.000000000  -0.750000000   1.000000000
          3  -1.000000000  -0.750000000   0.000000000
          4  -1.000000000   0.000000000   0.750000000
          5  -1.000000000   0.000000000  -0.750000000
          6   0.750000000   1.000000000   0.000000000
          7  -0.750000000   0.000000000  -1.000000000
          8   0.750000000   0.000000000  -1.000000000
          9   0.000000000  -1.000000000  -0.750000000
         10   0.000000000  -1.000000000   0.750000000
         11   0.000000000   0.750000000   1.000000000
         12  -0.750000000  -1.000000000   0.000000000

     Diagonalizing the dynamical matrix

     q = (    1.000000000   0.750000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       6.481356 [THz] =     216.194754 [cm-1]
     freq (    2) =       6.669994 [THz] =     222.487064 [cm-1]
     freq (    3) =       8.841737 [THz] =     294.928605 [cm-1]
 **************************************************************************

     Mode symmetry, C_2v (mm2)  point group:

     freq (  1 -  1) =        216.2  [cm-1]   --> A_1  D_1  S_1      
     freq (  2 -  2) =        222.5  [cm-1]   --> B_1  D_3  S_3      
     freq (  3 -  3) =        294.9  [cm-1]   --> B_2  D_4  S_4      

     Calculation of q =    1.0000000   1.0000000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     15                  216      216      82
     Max          31      31     16                  218      218      83
     Sum         121     121     61                  869      869     331


     Title: 
     Phonon dispersions for Al                                                  


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   118  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.12Mb

     Estimated total allocated dynamical RAM >       0.47Mb

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.3

     total cpu time spent up to now is       11.6 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     8.1776 ev

     Writing output data file aluminum.save

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   1.0000000   1.0000000   0.0000000 )

     17 Sym.Ops. (with q -> -q+G )


     G cutoff =   85.4897  (    218 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   118  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, D_4h(4/mmm) point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_2u X_4' M_4'  To be done

     Representation     2      2 modes -E_u  X_5' M_5'  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :    17.21s CPU        21.53s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    21.6 secs   av.it.:   3.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.091E-05

      iter #   2 total cpu time :    21.6 secs   av.it.:   5.1
      thresh= 7.804E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.345E-05

      iter #   3 total cpu time :    21.7 secs   av.it.:   4.9
      thresh= 4.843E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.559E-09

      iter #   4 total cpu time :    21.8 secs   av.it.:   5.1
      thresh= 6.752E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.523E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :    21.9 secs   av.it.:   3.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.776E-07

      iter #   2 total cpu time :    22.0 secs   av.it.:   5.9
      thresh= 5.268E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.909E-09

      iter #   3 total cpu time :    22.1 secs   av.it.:   5.6
      thresh= 6.252E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.693E-10

      iter #   4 total cpu time :    22.3 secs   av.it.:   5.4
      thresh= 1.922E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.664E-14

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    3
     List of q in the star:
          1   1.000000000   1.000000000   0.000000000
          2   0.000000000  -1.000000000  -1.000000000
          3  -1.000000000   0.000000000  -1.000000000

     Diagonalizing the dynamical matrix

     q = (    1.000000000   1.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       6.062706 [THz] =     202.230114 [cm-1]
     freq (    2) =       6.062706 [THz] =     202.230114 [cm-1]
     freq (    3) =       9.881061 [THz] =     329.596719 [cm-1]
 **************************************************************************

     Mode symmetry, D_4h(4/mmm) point group:

     freq (  1 -  2) =        202.2  [cm-1]   --> E_u  X_5' M_5'     
     freq (  3 -  3) =        329.6  [cm-1]   --> A_2u X_4' M_4'     

     Calculation of q =    0.7500000   0.7500000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     15                  216      216      82
     Max          31      31     16                  218      218      83
     Sum         121     121     61                  869      869     331


     Title: 
     Phonon dispersions for Al                                                  


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.12Mb

     Estimated total allocated dynamical RAM >       0.47Mb

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.5

     total cpu time spent up to now is       13.9 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     8.1776 ev

     Writing output data file aluminum.save

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.7500000   0.7500000   0.0000000 )

      4 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    218 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_2v (mm2)  point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A_1  D_1  S_1  To be done

     Representation     2      1 modes -B_1  D_3  S_3  To be done

     Representation     3      1 modes -B_2  D_4  S_4  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :    19.86s CPU        24.73s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    24.9 secs   av.it.:   4.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.094E-05

      iter #   2 total cpu time :    25.0 secs   av.it.:   5.5
      thresh= 4.576E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.968E-06

      iter #   3 total cpu time :    25.2 secs   av.it.:   5.3
      thresh= 2.229E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.982E-09

      iter #   4 total cpu time :    25.4 secs   av.it.:   5.7
      thresh= 7.058E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.547E-10

      iter #   5 total cpu time :    25.5 secs   av.it.:   5.5
      thresh= 2.747E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.312E-12

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    25.7 secs   av.it.:   3.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.187E-07

      iter #   2 total cpu time :    25.8 secs   av.it.:   5.4
      thresh= 7.866E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.231E-08

      iter #   3 total cpu time :    26.0 secs   av.it.:   4.7
      thresh= 1.109E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.092E-09

      iter #   4 total cpu time :    26.1 secs   av.it.:   4.9
      thresh= 3.304E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.088E-14

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    26.3 secs   av.it.:   3.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.224E-05

      iter #   2 total cpu time :    26.4 secs   av.it.:   5.4
      thresh= 5.678E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.716E-06

      iter #   3 total cpu time :    26.6 secs   av.it.:   5.1
      thresh= 2.952E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.071E-09

      iter #   4 total cpu time :    26.7 secs   av.it.:   5.3
      thresh= 6.381E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.030E-11

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =   12
     List of q in the star:
          1   0.750000000   0.750000000   0.000000000
          2  -0.750000000  -0.750000000   0.000000000
          3  -0.750000000   0.750000000   0.000000000
          4   0.750000000  -0.750000000   0.000000000
          5   0.000000000  -0.750000000  -0.750000000
          6  -0.750000000   0.000000000  -0.750000000
          7   0.750000000   0.000000000  -0.750000000
          8  -0.750000000   0.000000000   0.750000000
          9   0.750000000   0.000000000   0.750000000
         10   0.000000000  -0.750000000   0.750000000
         11   0.000000000   0.750000000  -0.750000000
         12   0.000000000   0.750000000   0.750000000

     Diagonalizing the dynamical matrix

     q = (    0.750000000   0.750000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       5.871361 [THz] =     195.847507 [cm-1]
     freq (    2) =       7.858271 [THz] =     262.123697 [cm-1]
     freq (    3) =       8.953420 [THz] =     298.653933 [cm-1]
 **************************************************************************

     Mode symmetry, C_2v (mm2)  point group:

     freq (  1 -  1) =        195.8  [cm-1]   --> B_1  D_3  S_3      
     freq (  2 -  2) =        262.1  [cm-1]   --> A_1  D_1  S_1      
     freq (  3 -  3) =        298.7  [cm-1]   --> B_2  D_4  S_4      

     Calculation of q =    0.5000000   0.5000000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     15                  217      217      76
     Max          31      31     16                  218      218      77
     Sum         121     121     61                  869      869     307


     Title: 
     Phonon dispersions for Al                                                  


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.12Mb

     Estimated total allocated dynamical RAM >       0.47Mb

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.6

     total cpu time spent up to now is       16.3 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     8.1776 ev

     Writing output data file aluminum.save

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.5000000   0.5000000   0.0000000 )

      4 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    217 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_2v (mm2)  point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A_1  D_1  S_1  To be done

     Representation     2      1 modes -B_1  D_3  S_3  To be done

     Representation     3      1 modes -B_2  D_4  S_4  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :    23.46s CPU        29.20s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    29.4 secs   av.it.:   4.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.825E-04

      iter #   2 total cpu time :    29.5 secs   av.it.:   4.9
      thresh= 2.414E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.048E-03

      iter #   3 total cpu time :    29.6 secs   av.it.:   4.1
      thresh= 4.525E-03 alpha_mix =  0.700 |ddv_scf|^2 =  4.209E-08

      iter #   4 total cpu time :    29.8 secs   av.it.:   5.9
      thresh= 2.052E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.526E-09

      iter #   5 total cpu time :    29.9 secs   av.it.:   5.4
      thresh= 3.906E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.514E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    30.1 secs   av.it.:   3.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.785E-07

      iter #   2 total cpu time :    30.2 secs   av.it.:   5.3
      thresh= 4.225E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.287E-08

      iter #   3 total cpu time :    30.4 secs   av.it.:   5.0
      thresh= 1.134E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.929E-10

      iter #   4 total cpu time :    30.5 secs   av.it.:   5.2
      thresh= 1.389E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.412E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    30.7 secs   av.it.:   3.6
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.011E-06

      iter #   2 total cpu time :    30.8 secs   av.it.:   5.4
      thresh= 2.239E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.309E-07

      iter #   3 total cpu time :    31.0 secs   av.it.:   5.3
      thresh= 5.752E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.653E-09

      iter #   4 total cpu time :    31.1 secs   av.it.:   5.2
      thresh= 5.151E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.754E-12

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =   12
     List of q in the star:
          1   0.500000000   0.500000000   0.000000000
          2  -0.500000000  -0.500000000   0.000000000
          3  -0.500000000   0.500000000   0.000000000
          4   0.500000000  -0.500000000   0.000000000
          5   0.000000000  -0.500000000  -0.500000000
          6  -0.500000000   0.000000000  -0.500000000
          7   0.500000000   0.000000000  -0.500000000
          8  -0.500000000   0.000000000   0.500000000
          9   0.500000000   0.000000000   0.500000000
         10   0.000000000  -0.500000000   0.500000000
         11   0.000000000   0.500000000  -0.500000000
         12   0.000000000   0.500000000   0.500000000

     Diagonalizing the dynamical matrix

     q = (    0.500000000   0.500000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       4.864076 [THz] =     162.248119 [cm-1]
     freq (    2) =       6.528746 [THz] =     217.775537 [cm-1]
     freq (    3) =       8.467287 [THz] =     282.438288 [cm-1]
 **************************************************************************

     Mode symmetry, C_2v (mm2)  point group:

     freq (  1 -  1) =        162.2  [cm-1]   --> B_1  D_3  S_3      
     freq (  2 -  2) =        217.8  [cm-1]   --> B_2  D_4  S_4      
     freq (  3 -  3) =        282.4  [cm-1]   --> A_1  D_1  S_1      

     Calculation of q =    0.2500000   0.2500000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     13                  216      216      64
     Max          31      31     14                  218      218      65
     Sum         121     121     55                  869      869     259


     Title: 
     Phonon dispersions for Al                                                  


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.12Mb

     Estimated total allocated dynamical RAM >       0.47Mb

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.5

     total cpu time spent up to now is       18.6 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     8.1776 ev

     Writing output data file aluminum.save

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.2500000   0.2500000   0.0000000 )

      4 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    218 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_2v (mm2)  point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A_1  D_1  S_1  To be done

     Representation     2      1 modes -B_1  D_3  S_3  To be done

     Representation     3      1 modes -B_2  D_4  S_4  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :    27.02s CPU        33.55s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    33.7 secs   av.it.:   4.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.456E-02

      iter #   2 total cpu time :    33.9 secs   av.it.:   5.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.610E+00

      iter #   3 total cpu time :    34.0 secs   av.it.:   4.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.327E-06

      iter #   4 total cpu time :    34.1 secs   av.it.:   4.1
      thresh= 2.308E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.709E-09

      iter #   5 total cpu time :    34.3 secs   av.it.:   5.1
      thresh= 5.205E-06 alpha_mix =  0.700 |ddv_scf|^2 =  8.675E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    34.4 secs   av.it.:   3.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.126E-07

      iter #   2 total cpu time :    34.6 secs   av.it.:   4.9
      thresh= 3.355E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.186E-08

      iter #   3 total cpu time :    34.7 secs   av.it.:   4.6
      thresh= 1.089E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.339E-12

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    34.9 secs   av.it.:   3.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.245E-07

      iter #   2 total cpu time :    35.0 secs   av.it.:   5.5
      thresh= 5.696E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.208E-08

      iter #   3 total cpu time :    35.1 secs   av.it.:   4.8
      thresh= 1.099E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.403E-10

      iter #   4 total cpu time :    35.3 secs   av.it.:   4.8
      thresh= 2.721E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.037E-13

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =   12
     List of q in the star:
          1   0.250000000   0.250000000   0.000000000
          2  -0.250000000  -0.250000000   0.000000000
          3  -0.250000000   0.250000000   0.000000000
          4   0.250000000  -0.250000000   0.000000000
          5   0.000000000  -0.250000000  -0.250000000
          6  -0.250000000   0.000000000  -0.250000000
          7   0.250000000   0.000000000  -0.250000000
          8  -0.250000000   0.000000000   0.250000000
          9   0.250000000   0.000000000   0.250000000
         10   0.000000000  -0.250000000   0.250000000
         11   0.000000000   0.250000000  -0.250000000
         12   0.000000000   0.250000000   0.250000000

     Diagonalizing the dynamical matrix

     q = (    0.250000000   0.250000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       3.022788 [THz] =     100.829351 [cm-1]
     freq (    2) =       3.330044 [THz] =     111.078304 [cm-1]
     freq (    3) =       5.522415 [THz] =     184.207921 [cm-1]
 **************************************************************************

     Mode symmetry, C_2v (mm2)  point group:

     freq (  1 -  1) =        100.8  [cm-1]   --> B_1  D_3  S_3      
     freq (  2 -  2) =        111.1  [cm-1]   --> B_2  D_4  S_4      
     freq (  3 -  3) =        184.2  [cm-1]   --> A_1  D_1  S_1      

     Calculation of q =    0.0000000   0.0000000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     10                  216      216      45
     Max          31      31     11                  218      218      46
     Sum         121     121     43                  869      869     181


     Title: 
     Phonon dispersions for Al                                                  


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=    29  Marzari-Vanderbilt smearing, width (Ry)=  0.0500
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0039062
        k(    2) = (  -0.1250000   0.1250000  -0.1250000), wk =   0.0312500
        k(    3) = (  -0.2500000   0.2500000  -0.2500000), wk =   0.0312500
        k(    4) = (  -0.3750000   0.3750000  -0.3750000), wk =   0.0312500
        k(    5) = (   0.5000000  -0.5000000   0.5000000), wk =   0.0156250
        k(    6) = (   0.0000000   0.2500000   0.0000000), wk =   0.0234375
        k(    7) = (  -0.1250000   0.3750000  -0.1250000), wk =   0.0937500
        k(    8) = (  -0.2500000   0.5000000  -0.2500000), wk =   0.0937500
        k(    9) = (   0.6250000  -0.3750000   0.6250000), wk =   0.0937500
        k(   10) = (   0.5000000  -0.2500000   0.5000000), wk =   0.0937500
        k(   11) = (   0.3750000  -0.1250000   0.3750000), wk =   0.0937500
        k(   12) = (   0.2500000   0.0000000   0.2500000), wk =   0.0468750
        k(   13) = (   0.0000000   0.5000000   0.0000000), wk =   0.0234375
        k(   14) = (  -0.1250000   0.6250000  -0.1250000), wk =   0.0937500
        k(   15) = (   0.7500000  -0.2500000   0.7500000), wk =   0.0937500
        k(   16) = (   0.6250000  -0.1250000   0.6250000), wk =   0.0937500
        k(   17) = (   0.5000000   0.0000000   0.5000000), wk =   0.0468750
        k(   18) = (   0.0000000   0.7500000   0.0000000), wk =   0.0234375
        k(   19) = (   0.8750000  -0.1250000   0.8750000), wk =   0.0937500
        k(   20) = (   0.7500000   0.0000000   0.7500000), wk =   0.0468750
        k(   21) = (   0.0000000  -1.0000000   0.0000000), wk =   0.0117188
        k(   22) = (  -0.2500000   0.5000000   0.0000000), wk =   0.0937500
        k(   23) = (   0.6250000  -0.3750000   0.8750000), wk =   0.1875000
        k(   24) = (   0.5000000  -0.2500000   0.7500000), wk =   0.0937500
        k(   25) = (   0.7500000  -0.2500000   1.0000000), wk =   0.0937500
        k(   26) = (   0.6250000  -0.1250000   0.8750000), wk =   0.1875000
        k(   27) = (   0.5000000   0.0000000   0.7500000), wk =   0.0937500
        k(   28) = (  -0.2500000  -1.0000000   0.0000000), wk =   0.0468750
        k(   29) = (  -0.5000000  -1.0000000   0.0000000), wk =   0.0234375

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.12Mb

     Estimated total allocated dynamical RAM >       0.47Mb

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.6

     total cpu time spent up to now is       19.2 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   113 PWs)   bands (ev):

    -3.1905  21.1791  21.1791  21.1791  22.5559  22.5559

          k =-0.1250 0.1250-0.1250 (   107 PWs)   bands (ev):

    -2.7432  16.7424  20.1788  20.1788  23.2673  24.1714

          k =-0.2500 0.2500-0.2500 (   104 PWs)   bands (ev):

    -1.4192  11.7921  19.3971  19.3971  22.9597  23.3426

          k =-0.3750 0.3750-0.3750 (    99 PWs)   bands (ev):

     0.7472   7.4148  19.3063  19.3063  21.3010  21.3010

          k = 0.5000-0.5000 0.5000 (   108 PWs)   bands (ev):

     3.5959   3.8201  19.8996  19.8996  19.9675  19.9675

          k = 0.0000 0.2500 0.0000 (   109 PWs)   bands (ev):

    -2.5963  18.3809  18.3809  18.5807  21.4898  23.2598

          k =-0.1250 0.3750-0.1250 (   105 PWs)   bands (ev):

    -1.5646  13.6745  17.3092  18.8466  20.1249  22.7024

          k =-0.2500 0.5000-0.2500 (   100 PWs)   bands (ev):

     0.3184   9.1428  16.9626  17.6720  18.7359  24.8907

          k = 0.6250-0.3750 0.6250 (   103 PWs)   bands (ev):

     3.0030   5.2356  16.0319  17.3393  19.1716  23.3119

          k = 0.5000-0.2500 0.5000 (   103 PWs)   bands (ev):

     2.0232   6.4566  15.1468  18.4483  20.3702  22.4444

          k = 0.3750-0.1250 0.3750 (   100 PWs)   bands (ev):

    -0.4008  10.5631  15.0570  20.2786  22.2917  22.3016

          k = 0.2500 0.0000 0.2500 (   109 PWs)   bands (ev):

    -2.0061  14.8067  16.1745  22.3349  22.5311  23.9983

          k = 0.0000 0.5000 0.0000 (   101 PWs)   bands (ev):

    -0.8352  15.7883  15.9791  15.9791  16.6948  19.6305

          k =-0.1250 0.6250-0.1250 (   102 PWs)   bands (ev):

     0.7484  11.5552  13.9819  15.3797  16.8431  20.9945

          k = 0.7500-0.2500 0.7500 (   104 PWs)   bands (ev):

     3.1397   7.5222  12.0332  15.5077  17.2170  24.6967

          k = 0.6250-0.1250 0.6250 (   101 PWs)   bands (ev):

     4.1106   6.2837  10.9030  16.3666  18.2368  26.3744

          k = 0.5000 0.0000 0.5000 (    97 PWs)   bands (ev):

     1.4600   9.5229  11.1704  17.9584  19.9899  25.7819

          k = 0.0000 0.7500 0.0000 (   104 PWs)   bands (ev):

     2.0191  10.9279  14.0595  14.5356  14.5356  18.2072

          k = 0.8750-0.1250 0.8750 (   104 PWs)   bands (ev):

     4.0824   8.6644  10.5465  14.4188  15.7415  20.0602

          k = 0.7500 0.0000 0.7500 (   102 PWs)   bands (ev):

     6.3730   6.8679   7.9529  15.0260  16.6758  24.2856

          k = 0.0000-1.0000 0.0000 (   108 PWs)   bands (ev):

     5.3322   6.6439  13.4761  14.0562  14.0562  17.6954

          k =-0.2500 0.5000 0.0000 (   104 PWs)   bands (ev):

    -0.2570  12.1642  13.7101  17.2559  20.6545  22.4777

          k = 0.6250-0.3750 0.8750 (   103 PWs)   bands (ev):

     1.8823   8.4268  12.9754  15.1041  21.3116  23.4584

          k = 0.5000-0.2500 0.7500 (   102 PWs)   bands (ev):

     4.6528   4.9627  13.3015  13.9658  21.8092  22.3648

          k = 0.7500-0.2500 1.0000 (   102 PWs)   bands (ev):

     2.5825  10.5748  11.2912  12.4298  19.1119  21.2514

          k = 0.6250-0.1250 0.8750 (   104 PWs)   bands (ev):

     5.1677   7.3413   9.7861  12.0722  20.3586  24.5659

          k = 0.5000 0.0000 0.7500 (   108 PWs)   bands (ev):

     4.2439   7.9410   9.5098  13.1695  21.6037  24.9640

          k =-0.2500-1.0000 0.0000 (   104 PWs)   bands (ev):

     5.8512   7.2029  10.0444  11.7573  18.5864  20.8033

          k =-0.5000-1.0000 0.0000 (   108 PWs)   bands (ev):

     7.4162   7.4162   8.3730   9.6362  24.4638  24.4638

     the Fermi energy is     8.1776 ev

     Writing output data file aluminum.save

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.0000000   0.0000000 )

     49 Sym.Ops. (with q -> -q+G )


     G cutoff =   85.4897  (    217 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=    29  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, O_h (m-3m)  point group:


     Atomic displacements:
     There are   1 irreducible representations

     Representation     1      3 modes -T_1u G_15  G_4-  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :    28.56s CPU        35.61s WALL



     Representation #  1 modes #   1  2  3

     Self-consistent Calculation

     Pert. #  1: Fermi energy shift (Ry) =    -1.3442E-24     8.1501E-37
     Pert. #  2: Fermi energy shift (Ry) =     4.4806E-25    -1.2539E-36
     Pert. #  3: Fermi energy shift (Ry) =     2.7831E-24    -1.8808E-37

      iter #   1 total cpu time :    35.7 secs   av.it.:   3.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.256E-08

     Pert. #  1: Fermi energy shift (Ry) =     1.9301E-24    -2.4489E-40
     Pert. #  2: Fermi energy shift (Ry) =     3.9980E-24    -9.7958E-40
     Pert. #  3: Fermi energy shift (Ry) =    -2.1024E-24    -3.6734E-40

      iter #   2 total cpu time :    35.8 secs   av.it.:   5.6
      thresh= 1.121E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.314E-09

     Pert. #  1: Fermi energy shift (Ry) =    -2.5505E-24    -7.3468E-40
     Pert. #  2: Fermi energy shift (Ry) =    -2.8951E-24     0.0000E+00
     Pert. #  3: Fermi energy shift (Ry) =     7.9271E-25    -1.2245E-39

      iter #   3 total cpu time :    35.9 secs   av.it.:   5.3
      thresh= 3.625E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.554E-13

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    1
     List of q in the star:
          1   0.000000000   0.000000000   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.000000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       0.172187 [THz] =       5.743551 [cm-1]
     freq (    2) =       0.172187 [THz] =       5.743551 [cm-1]
     freq (    3) =       0.172187 [THz] =       5.743551 [cm-1]
 **************************************************************************

     Mode symmetry, O_h (m-3m)  point group:

     freq (  1 -  3) =          5.7  [cm-1]   --> T_1u G_15  G_4- I  

     Calculation of q =    0.1250000   0.1250000   0.1250000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     13                  216      216      64
     Max          31      31     14                  218      218      65
     Sum         121     121     55                  869      869     259


     Title: 
     Phonon dispersions for Al                                                  


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   240  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.12Mb

     Estimated total allocated dynamical RAM >       0.47Mb

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.8

     total cpu time spent up to now is       20.8 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     8.1776 ev

     Writing output data file aluminum.save

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.1250000   0.1250000   0.1250000 )

      6 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    218 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   240  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_3v (3m)   point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_1  L_1  To be done

     Representation     2      2 modes -E    L_3  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :    30.34s CPU        37.74s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    37.9 secs   av.it.:   4.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.595E+00

      iter #   2 total cpu time :    38.0 secs   av.it.:   5.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.254E+03

      iter #   3 total cpu time :    38.1 secs   av.it.:   5.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.908E-03

      iter #   4 total cpu time :    38.1 secs   av.it.:   1.9
      thresh= 9.954E-03 alpha_mix =  0.700 |ddv_scf|^2 =  6.005E-08

      iter #   5 total cpu time :    38.3 secs   av.it.:   5.8
      thresh= 2.451E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.678E-06

      iter #   6 total cpu time :    38.3 secs   av.it.:   1.8
      thresh= 1.296E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.152E-08

      iter #   7 total cpu time :    38.4 secs   av.it.:   3.8
      thresh= 2.038E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.477E-09

      iter #   8 total cpu time :    38.5 secs   av.it.:   3.2
      thresh= 4.977E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.790E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :    38.7 secs   av.it.:   3.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.964E-08

      iter #   2 total cpu time :    38.9 secs   av.it.:   5.9
      thresh= 1.722E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.002E-09

      iter #   3 total cpu time :    39.1 secs   av.it.:   5.7
      thresh= 5.479E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.852E-12

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    8
     List of q in the star:
          1   0.125000000   0.125000000   0.125000000
          2  -0.125000000   0.125000000  -0.125000000
          3   0.125000000  -0.125000000  -0.125000000
          4   0.125000000  -0.125000000   0.125000000
          5  -0.125000000   0.125000000   0.125000000
          6  -0.125000000  -0.125000000  -0.125000000
          7  -0.125000000  -0.125000000   0.125000000
          8   0.125000000   0.125000000  -0.125000000

     Diagonalizing the dynamical matrix

     q = (    0.125000000   0.125000000   0.125000000 ) 

 **************************************************************************
     freq (    1) =       1.899650 [THz] =      63.365514 [cm-1]
     freq (    2) =       1.899650 [THz] =      63.365514 [cm-1]
     freq (    3) =       3.437348 [THz] =     114.657580 [cm-1]
 **************************************************************************

     Mode symmetry, C_3v (3m)   point group:

     freq (  1 -  2) =         63.4  [cm-1]   --> E    L_3           
     freq (  3 -  3) =        114.7  [cm-1]   --> A_1  L_1           

     Calculation of q =    0.2500000   0.2500000   0.2500000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     13                  216      216      64
     Max          31      31     14                  218      218      65
     Sum         121     121     55                  869      869     259


     Title: 
     Phonon dispersions for Al                                                  


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   240  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.12Mb

     Estimated total allocated dynamical RAM >       0.47Mb

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.8

     total cpu time spent up to now is       22.6 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     8.1776 ev

     Writing output data file aluminum.save

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.2500000   0.2500000   0.2500000 )

      6 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    218 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   240  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_3v (3m)   point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_1  L_1  To be done

     Representation     2      2 modes -E    L_3  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :    33.01s CPU        40.95s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    41.1 secs   av.it.:   4.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.094E-02

      iter #   2 total cpu time :    41.2 secs   av.it.:   4.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.107E-01

      iter #   3 total cpu time :    41.3 secs   av.it.:   4.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.175E-07

      iter #   4 total cpu time :    41.4 secs   av.it.:   5.2
      thresh= 7.194E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.409E-09

      iter #   5 total cpu time :    41.5 secs   av.it.:   5.5
      thresh= 4.908E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.852E-09

      iter #   6 total cpu time :    41.6 secs   av.it.:   3.9
      thresh= 6.965E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.639E-09

      iter #   7 total cpu time :    41.6 secs   av.it.:   4.1
      thresh= 7.509E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.924E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :    41.9 secs   av.it.:   3.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.277E-08

      iter #   2 total cpu time :    42.1 secs   av.it.:   6.0
      thresh= 1.810E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.070E-09

      iter #   3 total cpu time :    42.4 secs   av.it.:   5.7
      thresh= 5.541E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.014E-11

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    8
     List of q in the star:
          1   0.250000000   0.250000000   0.250000000
          2  -0.250000000   0.250000000  -0.250000000
          3   0.250000000  -0.250000000  -0.250000000
          4   0.250000000  -0.250000000   0.250000000
          5  -0.250000000   0.250000000   0.250000000
          6  -0.250000000  -0.250000000  -0.250000000
          7  -0.250000000  -0.250000000   0.250000000
          8   0.250000000   0.250000000  -0.250000000

     Diagonalizing the dynamical matrix

     q = (    0.250000000   0.250000000   0.250000000 ) 

 **************************************************************************
     freq (    1) =       3.512898 [THz] =     117.177649 [cm-1]
     freq (    2) =       3.512898 [THz] =     117.177649 [cm-1]
     freq (    3) =       6.337256 [THz] =     211.388107 [cm-1]
 **************************************************************************

     Mode symmetry, C_3v (3m)   point group:

     freq (  1 -  2) =        117.2  [cm-1]   --> E    L_3           
     freq (  3 -  3) =        211.4  [cm-1]   --> A_1  L_1           

     Calculation of q =    0.3750000   0.3750000   0.3750000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     13                  216      216      70
     Max          31      31     14                  218      218      71
     Sum         121     121     55                  869      869     283


     Title: 
     Phonon dispersions for Al                                                  


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   240  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.12Mb

     Estimated total allocated dynamical RAM >       0.47Mb

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.7

     total cpu time spent up to now is       24.8 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     8.1776 ev

     Writing output data file aluminum.save

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.3750000   0.3750000   0.3750000 )

      6 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    218 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   240  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_3v (3m)   point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_1  L_1  To be done

     Representation     2      2 modes -E    L_3  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :    35.71s CPU        44.59s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    44.7 secs   av.it.:   4.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.339E-03

      iter #   2 total cpu time :    44.8 secs   av.it.:   5.2
      thresh= 3.660E-03 alpha_mix =  0.700 |ddv_scf|^2 =  9.044E-03

      iter #   3 total cpu time :    44.9 secs   av.it.:   4.0
      thresh= 9.510E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.139E-06

      iter #   4 total cpu time :    45.0 secs   av.it.:   5.6
      thresh= 1.067E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.577E-09

      iter #   5 total cpu time :    45.1 secs   av.it.:   5.4
      thresh= 9.261E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.459E-10

      iter #   6 total cpu time :    45.2 secs   av.it.:   5.4
      thresh= 1.568E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.145E-10

      iter #   7 total cpu time :    45.3 secs   av.it.:   4.2
      thresh= 1.070E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.099E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :    45.5 secs   av.it.:   3.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.500E-08

      iter #   2 total cpu time :    45.8 secs   av.it.:   6.0
      thresh= 1.871E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.127E-09

      iter #   3 total cpu time :    46.0 secs   av.it.:   5.7
      thresh= 5.592E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.590E-11

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    8
     List of q in the star:
          1   0.375000000   0.375000000   0.375000000
          2  -0.375000000   0.375000000  -0.375000000
          3   0.375000000  -0.375000000  -0.375000000
          4   0.375000000  -0.375000000   0.375000000
          5  -0.375000000   0.375000000   0.375000000
          6  -0.375000000  -0.375000000  -0.375000000
          7  -0.375000000  -0.375000000   0.375000000
          8   0.375000000   0.375000000  -0.375000000

     Diagonalizing the dynamical matrix

     q = (    0.375000000   0.375000000   0.375000000 ) 

 **************************************************************************
     freq (    1) =       4.374772 [THz] =     145.926672 [cm-1]
     freq (    2) =       4.374772 [THz] =     145.926672 [cm-1]
     freq (    3) =       8.491881 [THz] =     283.258654 [cm-1]
 **************************************************************************

     Mode symmetry, C_3v (3m)   point group:

     freq (  1 -  2) =        145.9  [cm-1]   --> E    L_3           
     freq (  3 -  3) =        283.3  [cm-1]   --> A_1  L_1           

     Calculation of q =    0.5000000   0.5000000   0.5000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          30      30     15                  217      217      76
     Max          31      31     16                  218      218      77
     Sum         121     121     61                  869      869     307


     Title: 
     Phonon dispersions for Al                                                  


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   130  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.12Mb

     Estimated total allocated dynamical RAM >       0.47Mb

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.7

     total cpu time spent up to now is       25.9 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     8.1776 ev

     Writing output data file aluminum.save

     Phonon dispersions for Al                                                  

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.5000000   0.5000000   0.5000000 )

     13 Sym.Ops. (with q -> -q+G )


     G cutoff =   85.4897  (    217 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   130  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ./Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, D_3d (-3m)  point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_2u L_2'  To be done

     Representation     2      2 modes -E_u  L_3'  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :    37.66s CPU        47.05s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    47.1 secs   av.it.:   4.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.394E-04

      iter #   2 total cpu time :    47.2 secs   av.it.:   5.5
      thresh= 1.547E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.812E-04

      iter #   3 total cpu time :    47.2 secs   av.it.:   5.0
      thresh= 1.677E-03 alpha_mix =  0.700 |ddv_scf|^2 =  6.321E-09

      iter #   4 total cpu time :    47.3 secs   av.it.:   5.5
      thresh= 7.950E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.939E-10

      iter #   5 total cpu time :    47.4 secs   av.it.:   5.1
      thresh= 1.714E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.712E-14

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :    47.5 secs   av.it.:   3.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.602E-08

      iter #   2 total cpu time :    47.6 secs   av.it.:   5.9
      thresh= 1.898E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.166E-09

      iter #   3 total cpu time :    47.8 secs   av.it.:   5.7
      thresh= 5.626E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.784E-11

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    4
     List of q in the star:
          1   0.500000000   0.500000000   0.500000000
          2   0.500000000  -0.500000000  -0.500000000
          3   0.500000000  -0.500000000   0.500000000
          4  -0.500000000  -0.500000000   0.500000000

     Diagonalizing the dynamical matrix

     q = (    0.500000000   0.500000000   0.500000000 ) 

 **************************************************************************
     freq (    1) =       4.438902 [THz] =     148.065820 [cm-1]
     freq (    2) =       4.438902 [THz] =     148.065820 [cm-1]
     freq (    3) =       9.422550 [THz] =     314.302429 [cm-1]
 **************************************************************************

     Mode symmetry, D_3d (-3m)  point group:

     freq (  1 -  2) =        148.1  [cm-1]   --> E_u  L_3'          
     freq (  3 -  3) =        314.3  [cm-1]   --> A_2u L_2'          

     init_run     :      0.08s CPU      0.13s WALL (      16 calls)
     electrons    :     17.41s CPU     21.33s WALL (      16 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.00s WALL (      16 calls)
     potinit      :      0.01s CPU      0.03s WALL (      16 calls)

     Called by electrons:
     c_bands      :     17.38s CPU     21.29s WALL (      16 calls)
     v_of_rho     :      0.00s CPU      0.00s WALL (      17 calls)

     Called by c_bands:
     init_us_2    :      0.23s CPU      0.35s WALL (   31031 calls)
     cegterg      :     16.26s CPU     19.81s WALL (    3694 calls)

     Called by sum_band:

     Called by *egterg:
     h_psi        :     14.61s CPU     18.84s WALL (  183475 calls)
     g_psi        :      0.04s CPU      0.09s WALL (   47583 calls)
     cdiaghg      :      6.56s CPU      7.87s WALL (   51112 calls)

     Called by h_psi:
     h_psi:pot    :     14.32s CPU     18.48s WALL (  183475 calls)
     h_psi:calbec :      1.20s CPU      1.76s WALL (  183475 calls)
     vloc_psi     :     12.22s CPU     15.60s WALL (  183475 calls)
     add_vuspsi   :      0.40s CPU      0.50s WALL (  183475 calls)

     General routines
     calbec       :      1.80s CPU      2.57s WALL (  351978 calls)
     fft          :      0.04s CPU      0.04s WALL (     731 calls)
     ffts         :      0.09s CPU      0.11s WALL (    5639 calls)
     fftw         :     12.81s CPU     16.54s WALL ( 1104740 calls)
     davcio       :      0.40s CPU      0.50s WALL (  117832 calls)

     Parallel routines
     fft_scatter  :      5.40s CPU      7.68s WALL ( 1111110 calls)

     PHONON       :    38.21s CPU        47.77s WALL

     INITIALIZATION: 
     phq_setup    :      0.06s CPU      0.06s WALL (      17 calls)
     phq_init     :      0.24s CPU      0.30s WALL (      17 calls)

     phq_init     :      0.24s CPU      0.30s WALL (      17 calls)
     init_vloc    :      0.00s CPU      0.00s WALL (      17 calls)
     init_us_1    :      0.03s CPU      0.03s WALL (      17 calls)

     DYNAMICAL MATRIX:
     dynmat0      :      0.15s CPU      0.19s WALL (      17 calls)
     phqscf       :     15.56s CPU     20.94s WALL (      17 calls)
     dynmatrix    :      0.03s CPU      0.05s WALL (      17 calls)

     phqscf       :     15.56s CPU     20.94s WALL (      17 calls)
     solve_linter :     15.21s CPU     20.48s WALL (      37 calls)
     drhodv       :      0.28s CPU      0.36s WALL (      37 calls)

     dynmat0      :      0.15s CPU      0.19s WALL (      17 calls)
     dynmat_us    :      0.14s CPU      0.16s WALL (      17 calls)
     d2ionq       :      0.00s CPU      0.00s WALL (      17 calls)

     dynmat_us    :      0.14s CPU      0.16s WALL (      17 calls)

     phqscf       :     15.56s CPU     20.94s WALL (      17 calls)
     solve_linter :     15.21s CPU     20.48s WALL (      37 calls)

     solve_linter :     15.21s CPU     20.48s WALL (      37 calls)
     dvqpsi_us    :      1.08s CPU      1.40s WALL (    5424 calls)
     ortho        :      0.28s CPU      0.41s WALL (   22993 calls)
     cgsolve      :     10.40s CPU     14.16s WALL (   22993 calls)
     incdrhoscf   :      1.08s CPU      1.49s WALL (   22993 calls)
     vpsifft      :      0.84s CPU      1.19s WALL (   17569 calls)
     dv_of_drho   :      0.04s CPU      0.04s WALL (     209 calls)
     mix_pot      :      0.01s CPU      0.03s WALL (     162 calls)
     ef_shift     :      0.00s CPU      0.00s WALL (       8 calls)
     localdos     :      0.01s CPU      0.00s WALL (       2 calls)
     psymdvscf    :      0.42s CPU      0.44s WALL (     162 calls)

     dvqpsi_us    :      1.08s CPU      1.40s WALL (    5424 calls)
     dvqpsi_us_on :      0.12s CPU      0.14s WALL (    5424 calls)

     cgsolve      :     10.40s CPU     14.16s WALL (   22993 calls)
     ch_psi       :      9.22s CPU     12.47s WALL (  128669 calls)

     ch_psi       :      9.22s CPU     12.47s WALL (  128669 calls)
     h_psi        :     14.61s CPU     18.84s WALL (  183475 calls)
     last         :      1.35s CPU      2.11s WALL (  128669 calls)

     h_psi        :     14.61s CPU     18.84s WALL (  183475 calls)
     add_vuspsi   :      0.40s CPU      0.50s WALL (  183475 calls)

     incdrhoscf   :      1.08s CPU      1.49s WALL (   22993 calls)


      General routines
     calbec       :      1.80s CPU      2.57s WALL (  351978 calls)
     fft          :      0.04s CPU      0.04s WALL (     731 calls)
     ffts         :      0.09s CPU      0.11s WALL (    5639 calls)
     fftw         :     12.81s CPU     16.54s WALL ( 1104740 calls)
     davcio       :      0.40s CPU      0.50s WALL (  117832 calls)
     write_rec    :      0.22s CPU      0.33s WALL (     199 calls)


     PHONON       :    38.21s CPU        47.77s WALL


   This run was terminated on:  16:45:34   7Dec2016            

=------------------------------------------------------------------------------=
   JOB DONE.
=------------------------------------------------------------------------------=
