0.450 0.450 0.450 hx,hy,hz: grid spacing in the three directions
6.0  8.0          crmult, frmult: c(f)rmult*radii_cf(*,1(2)) gives the coarse (fine)radius around each atom
1                 ixc: exchange-correlation parameter (LDA=1,PBE=11)
0 0.0             ncharge: charge of the system, Electric field
1  0              nspin=1 non-spin polarization, mpol=total magnetic moment
1.E-04            gnrm_cv: convergence criterion gradient
50 10             itermax,nrepmax: maximum number of wavefunction optimizations and of re-diagonalised runs
2  6              ncong, idsx: # CG iterations for the preconditioning equation, length of the diis history
0                 dispersion correction functional (values 1,2,3), 0=no correction
0 0   0           InputPsiId, output_wf, output_grid
0.0  30           rbuf, ncongt: length of the tail (AU),# tail CG iterations
0 0 0             davidson treatment, no. of virtual orbitals, no of plotted orbitals
T                 disable the symmetry detection
