INPUT_PARAMETERS
#Parameters (1.General)
suffix                  nscf
read_file_dir           OUT.scf
pseudo_dir              /home/fisherd/deepmodeling/abacus-orbital/SG15_ONCV_v1.0_upf
orbital_dir             /home/fisherd/deepmodeling/abacus-orbital
calculation             nscf
nbands                  44
symmetry               	-1
nspin                   1
dft_functional          pbe
rpa                     0
out_mat_xc		        1
out_wfc_lcao		    1
out_chg                 -1
init_chg		        file
#out_mat_r               1
#out_mat_hs2             1

#Parameters (2.Iteration)
ecutwfc                 120
scf_thr                 1e-6
scf_nmax                50

#Parameters (3.Basis)
basis_type              lcao 
gamma_only              0

#Parameters (4.Smearing)
smearing_method         gaussian
smearing_sigma          0.002

#Parameters (5.Mixing)
mixing_type             pulay
mixing_beta             0.4
mixing_gg0              0
