
     Program PHONON v.6.1 starts on 16Mar2017 at 21: 4:50 

     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
     K-points division:     npool     =       4

     Reading data from directory:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/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      = PBE ( 1  4  3  4 0 0)
     Any further DFT definition will be discarded
     Please, verify this is what you really want


     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    109                 3479     3479     749


     Check: negative/imaginary core charge=   -0.000013    0.000000


     Dynamical matrices for ( 4, 4, 4)  uniform grid of q-points
     With a half shift
     (  10q-points):
       N         xq(1)         xq(2)         xq(3) 
       1  -0.125000000   0.125000000   0.125000000
       2  -0.375000000   0.375000000  -0.125000000
       3   0.375000000  -0.375000000   0.625000000
       4   0.125000000  -0.125000000   0.375000000
       5  -0.125000000   0.625000000   0.125000000
       6   0.625000000  -0.125000000   0.875000000
       7   0.375000000   0.125000000   0.625000000
       8  -0.125000000  -0.875000000   0.125000000
       9  -0.375000000   0.375000000   0.375000000
      10   0.375000000  -0.375000000   1.125000000
     Because shifted q grid is used, q2r will not work !

     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
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    121                 3479     3479     869



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (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     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     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=  1632 (tetrahedron method)

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

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_1/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 = 18.4

     total cpu time spent up to now is       75.8 secs

     End of band structure calculation

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

     the Fermi energy is     7.9706 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.5441187E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  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 =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=  1632

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     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


     PHONON       :  1m10.19s CPU     1m28.44s WALL

     Reading dVscf from file dv
     Reading dynamics matrix from file al.dyn1

     [elph_tetra]   Lowest band which contains FS :          2
     [elph_tetra]  Highest band which contains FS :          3
     [elph_tetra]    # of bands which contains FS :          2

     Tetrahedron method
     DOS =  2.720593 states/spin/Ry/Unit Cell at Ef=  7.970584 eV
     double delta at Ef = 11.768747
     lambda(    1)=  0.2178   gamma=    2.25 GHz
     lambda(    2)=  0.2178   gamma=    2.25 GHz
     lambda(    3)=  0.1554   gamma=    5.56 GHz

     Calculation of q =   -0.3750000   0.3750000  -0.1250000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    121                 3479     3479     941



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (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     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     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=  4352 (tetrahedron method)

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

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_2/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 = 18.1

     total cpu time spent up to now is      273.2 secs

     End of band structure calculation

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

     the Fermi energy is     7.9706 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.5441187E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  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  -0.1250000 )

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


     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=  4352

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A''  To be done


     PHONON       :  4m 8.58s CPU     5m13.46s WALL

     Reading dVscf from file dv
     Reading dynamics matrix from file al.dyn2

     [elph_tetra]   Lowest band which contains FS :          2
     [elph_tetra]  Highest band which contains FS :          3
     [elph_tetra]    # of bands which contains FS :          2

     Tetrahedron method
     DOS =  2.720593 states/spin/Ry/Unit Cell at Ef=  7.970584 eV
     double delta at Ef = 15.327453
     lambda(    1)=  0.0224   gamma=    0.94 GHz
     lambda(    2)=  0.1269   gamma=    7.46 GHz
     lambda(    3)=  0.2291   gamma=   35.83 GHz

     Calculation of q =    0.3750000  -0.3750000   0.6250000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    121                 3479     3479     941



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (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     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     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=  4352 (tetrahedron method)

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

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_3/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 = 18.1

     total cpu time spent up to now is      477.6 secs

     End of band structure calculation

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

     the Fermi energy is     7.9706 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.5441187E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  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   0.6250000 )

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


     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=  4352

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A''  To be done


     PHONON       :  7m16.28s CPU     9m15.08s WALL

     Reading dVscf from file dv
     Reading dynamics matrix from file al.dyn3

     [elph_tetra]   Lowest band which contains FS :          2
     [elph_tetra]  Highest band which contains FS :          3
     [elph_tetra]    # of bands which contains FS :          2

     Tetrahedron method
     DOS =  2.720593 states/spin/Ry/Unit Cell at Ef=  7.970584 eV
     double delta at Ef = 16.261583
     lambda(    1)=  0.0898   gamma=    5.03 GHz
     lambda(    2)=  0.0866   gamma=    6.79 GHz
     lambda(    3)=  0.1819   gamma=   42.57 GHz

     Calculation of q =    0.1250000  -0.1250000   0.3750000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    121                 3479     3479     893



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (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     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     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=  4352 (tetrahedron method)

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

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_4/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 = 18.1

     total cpu time spent up to now is      627.5 secs

     End of band structure calculation

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

     the Fermi energy is     7.9706 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.5441187E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  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   0.3750000 )

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


     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=  4352

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A''  To be done


     PHONON       :  9m53.73s CPU    12m14.32s WALL

     Reading dVscf from file dv
     Reading dynamics matrix from file al.dyn4

     [elph_tetra]   Lowest band which contains FS :          2
     [elph_tetra]  Highest band which contains FS :          3
     [elph_tetra]    # of bands which contains FS :          2

     Tetrahedron method
     DOS =  2.720593 states/spin/Ry/Unit Cell at Ef=  7.970584 eV
     double delta at Ef = 21.576766
     lambda(    1)=  0.2132   gamma=    6.84 GHz
     lambda(    2)=  0.1629   gamma=    5.61 GHz
     lambda(    3)=  0.3227   gamma=   33.92 GHz

     Calculation of q =   -0.1250000   0.6250000   0.1250000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    121                 3479     3479     941



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (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     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     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=  4352 (tetrahedron method)

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

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_5/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 = 18.1

     total cpu time spent up to now is      767.4 secs

     End of band structure calculation

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

     the Fermi energy is     7.9706 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.5441187E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  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   0.6250000   0.1250000 )

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


     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=  4352

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A''  To be done


     PHONON       : 12m23.95s CPU    14m59.14s WALL

     Reading dVscf from file dv
     Reading dynamics matrix from file al.dyn5

     [elph_tetra]   Lowest band which contains FS :          2
     [elph_tetra]  Highest band which contains FS :          3
     [elph_tetra]    # of bands which contains FS :          2

     Tetrahedron method
     DOS =  2.720593 states/spin/Ry/Unit Cell at Ef=  7.970584 eV
     double delta at Ef = 13.351862
     lambda(    1)=  0.1040   gamma=    6.41 GHz
     lambda(    2)=  0.0721   gamma=    5.56 GHz
     lambda(    3)=  0.1982   gamma=   36.07 GHz

     Calculation of q =    0.6250000  -0.1250000   0.8750000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    139                 3479     3479    1067



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (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     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     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=  8192 (tetrahedron method)

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

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_6/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 = 18.0

     total cpu time spent up to now is     1024.4 secs

     End of band structure calculation

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

     the Fermi energy is     7.9706 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.5441187E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  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 = (   0.6250000  -0.1250000   0.8750000 )

     No symmetry!

     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=  8192

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done


     PHONON       : 16m51.61s CPU    19m55.90s WALL

     Reading dVscf from file dv
     Reading dynamics matrix from file al.dyn6

     [elph_tetra]   Lowest band which contains FS :          2
     [elph_tetra]  Highest band which contains FS :          3
     [elph_tetra]    # of bands which contains FS :          2

     Tetrahedron method
     DOS =  2.720593 states/spin/Ry/Unit Cell at Ef=  7.970584 eV
     double delta at Ef = 15.162478
     lambda(    1)=  0.1291   gamma=   11.81 GHz
     lambda(    2)=  0.1171   gamma=   17.83 GHz
     lambda(    3)=  0.1580   gamma=   32.43 GHz

     Calculation of q =    0.3750000   0.1250000   0.6250000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    121                 3479     3479     941



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (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     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     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=  8192 (tetrahedron method)

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

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_7/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 = 18.0

     total cpu time spent up to now is     1300.2 secs

     End of band structure calculation

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

     the Fermi energy is     7.9706 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.5441187E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  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   0.1250000   0.6250000 )

     No symmetry!

     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=  8192

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done


     PHONON       : 21m47.66s CPU    25m21.71s WALL

     Reading dVscf from file dv
     Reading dynamics matrix from file al.dyn7

     [elph_tetra]   Lowest band which contains FS :          2
     [elph_tetra]  Highest band which contains FS :          3
     [elph_tetra]    # of bands which contains FS :          2

     Tetrahedron method
     DOS =  2.720593 states/spin/Ry/Unit Cell at Ef=  7.970584 eV
     double delta at Ef = 14.097346
     lambda(    1)=  0.0571   gamma=    3.75 GHz
     lambda(    2)=  0.0765   gamma=    7.98 GHz
     lambda(    3)=  0.1933   gamma=   39.58 GHz

     Calculation of q =   -0.1250000  -0.8750000   0.1250000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    127                 3479     3479     965



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (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     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     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=  4352 (tetrahedron method)

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

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_8/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 = 18.1

     total cpu time spent up to now is     1458.5 secs

     End of band structure calculation

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

     the Fermi energy is     7.9706 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.5441187E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  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  -0.8750000   0.1250000 )

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


     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=  4352

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A''  To be done


     PHONON       : 24m44.12s CPU    28m36.04s WALL

     Reading dVscf from file dv
     Reading dynamics matrix from file al.dyn8

     [elph_tetra]   Lowest band which contains FS :          2
     [elph_tetra]  Highest band which contains FS :          3
     [elph_tetra]    # of bands which contains FS :          2

     Tetrahedron method
     DOS =  2.720593 states/spin/Ry/Unit Cell at Ef=  7.970584 eV
     double delta at Ef = 12.099956
     lambda(    1)=  0.0884   gamma=    7.70 GHz
     lambda(    2)=  0.0961   gamma=   10.22 GHz
     lambda(    3)=  0.1584   gamma=   36.81 GHz

     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
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    121                 3479     3479     941



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (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     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     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=  1632 (tetrahedron method)

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

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_9/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 = 18.4

     total cpu time spent up to now is     1526.0 secs

     End of band structure calculation

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

     the Fermi energy is     7.9706 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.5441187E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  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 =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=  1632

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     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


     PHONON       : 25m59.64s CPU    30m 0.65s WALL

     Reading dVscf from file dv
     Reading dynamics matrix from file al.dyn9

     [elph_tetra]   Lowest band which contains FS :          2
     [elph_tetra]  Highest band which contains FS :          3
     [elph_tetra]    # of bands which contains FS :          2

     Tetrahedron method
     DOS =  2.720593 states/spin/Ry/Unit Cell at Ef=  7.970584 eV
     double delta at Ef = 13.741609
     lambda(    1)=  0.0402   gamma=    1.88 GHz
     lambda(    2)=  0.0402   gamma=    1.88 GHz
     lambda(    3)=  0.2124   gamma=   44.40 GHz

     Calculation of q =    0.3750000  -0.3750000   1.1250000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    139                 3479     3479    1067



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (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     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     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=  4352 (tetrahedron method)

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

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_10/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 = 18.1

     total cpu time spent up to now is     1679.1 secs

     End of band structure calculation

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

     the Fermi energy is     7.9706 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.5441187E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  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   1.1250000 )

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


     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=  4352

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A''  To be done


     PHONON       : 28m37.78s CPU    32m55.83s WALL

     Reading dVscf from file dv
     Reading dynamics matrix from file al.dyn10

     [elph_tetra]   Lowest band which contains FS :          2
     [elph_tetra]  Highest band which contains FS :          3
     [elph_tetra]    # of bands which contains FS :          2

     Tetrahedron method
     DOS =  2.720593 states/spin/Ry/Unit Cell at Ef=  7.970584 eV
     double delta at Ef = 13.069322
     lambda(    1)=  0.0426   gamma=    3.18 GHz
     lambda(    2)=  0.1310   gamma=   19.77 GHz
     lambda(    3)=  0.1601   gamma=   34.31 GHz

     init_run     :      7.28s CPU      9.55s WALL (      10 calls)
     electrons    :   1353.91s CPU   1571.89s WALL (      10 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.09s WALL (      10 calls)
     potinit      :      0.22s CPU      0.65s WALL (      10 calls)

     Called by electrons:
     c_bands      :   1334.50s CPU   1552.34s WALL (      10 calls)
     v_of_rho     :      0.19s CPU      0.24s WALL (      11 calls)
     newd         :      0.06s CPU      0.05s WALL (      11 calls)

     Called by c_bands:
     init_us_2    :     11.28s CPU     12.54s WALL (   45352 calls)
     cegterg      :   1182.03s CPU   1283.89s WALL (   15050 calls)

     Called by sum_band:

     Called by *egterg:
     h_psi        :    989.28s CPU   1071.20s WALL (  248965 calls)
     s_psi        :     20.83s CPU     23.47s WALL (  248965 calls)
     g_psi        :      7.06s CPU      7.97s WALL (  222475 calls)
     cdiaghg      :     52.80s CPU     57.16s WALL (  233915 calls)

     Called by h_psi:
     h_psi:pot    :    985.09s CPU   1066.09s WALL (  248965 calls)
     h_psi:calbec :     23.08s CPU     25.44s WALL (  248965 calls)
     vloc_psi     :    939.47s CPU   1014.80s WALL (  248965 calls)
     add_vuspsi   :     21.20s CPU     23.28s WALL (  248965 calls)

     General routines
     calbec       :     29.95s CPU     32.30s WALL (  311885 calls)
     fft          :      0.08s CPU      0.11s WALL (     242 calls)
     ffts         :      8.20s CPU      8.70s WALL (   17190 calls)
     fftw         :   1031.47s CPU   1113.42s WALL ( 2430012 calls)
     davcio       :      0.42s CPU      6.67s WALL (   73604 calls)

     Parallel routines
     fft_scatter  :     54.89s CPU     63.41s WALL ( 2447444 calls)

     PHONON       : 28m54.03s CPU    33m13.30s WALL

     INITIALIZATION: 
     phq_setup    :      4.78s CPU      5.90s WALL (      10 calls)
     phq_init     :     98.33s CPU    111.81s WALL (      10 calls)

     phq_init     :     98.33s CPU    111.81s WALL (      10 calls)
     set_drhoc    :      2.14s CPU      2.29s WALL (      10 calls)
     init_vloc    :      0.03s CPU      0.03s WALL (      11 calls)
     init_us_1    :      5.52s CPU      6.53s WALL (      11 calls)
     newd         :      0.06s CPU      0.05s WALL (      11 calls)
     dvanqq       :      0.80s CPU      0.90s WALL (      20 calls)
     drho         :     89.75s CPU    101.94s WALL (      10 calls)




     dvqpsi_us    :    124.23s CPU    135.10s WALL (   17160 calls)
     addusddens   :      0.34s CPU      0.32s WALL (      28 calls)
     newdq        :      0.31s CPU      0.33s WALL (      28 calls)
     adddvscf     :      1.97s CPU      2.24s WALL (   17160 calls)

     dvqpsi_us    :    124.23s CPU    135.10s WALL (   17160 calls)
     dvqpsi_us_on :     12.05s CPU     13.11s WALL (   17160 calls)


     h_psi        :    989.28s CPU   1071.20s WALL (  248965 calls)

     h_psi        :    989.28s CPU   1071.20s WALL (  248965 calls)
     add_vuspsi   :     21.20s CPU     23.28s WALL (  248965 calls)

     addusdbec    :      2.53s CPU      2.81s WALL (   17160 calls)


      General routines
     calbec       :     29.95s CPU     32.30s WALL (  311885 calls)
     fft          :      0.08s CPU      0.11s WALL (     242 calls)
     ffts         :      8.20s CPU      8.70s WALL (   17190 calls)
     fftw         :   1031.47s CPU   1113.42s WALL ( 2430012 calls)
     davcio       :      0.42s CPU      6.67s WALL (   73604 calls)


     PHONON       : 28m54.03s CPU    33m13.30s WALL


   This run was terminated on:  21:38: 4  16Mar2017            

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