0.45 0.45 0.45 hx,hy,hz: grid spacing in the three directions                        
5.0 8.0        c(f)rmult: c(f)rmult*radii_cf(:,1(2))=coarse(fine) atom-based radius  
1              ixc: exchange-correlation parameter (LDA=1,PBE=11)                    
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-4          gnrm_cv: convergence criterion gradient                               
50 1           itermax,nrepmax: max. # of wfn. opt. steps and of re-diag. runs       
6 6            ncong, idsx: # of CG it. for preconditioning eq., wfn. diis history   
0              dispersion correction potential (values 1,2,3), 0=none                
0 1 0          InputPsiId, output_wf, output_grid                                    
0.0 30         rbuf, ncongt: length of the tail (AU),# tail CG iterations            
0 0 0          Davidson subspace dim., # of opt. orbs, # of plotted orbs             
T              disable the symmetry detection                                        
