0.450 0.450 0.450   hx,hy,hz: grid spacing in the three directions
5.0  9.0            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)
-1 0.0  0.0  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
6  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
