INPUT_PARAMETERS
pseudo_dir /public/.ys-abacus-tutorials-20261027/PP_ORB
orbital_dir /public/.ys-abacus-tutorials-20261027/PP_ORB
ecutwfc 60 
scf_nmax 100
scf_thr 1e-6
basis_type lcao
gamma_only 1 
smearing_method gauss
smearing_sigma 0.015
device gpu
ks_solver elpa

calculation scf
cal_force 1
cal_stress 1
out_chg 0
out_pot 0
