INPUT_PARAMETERS
# Created by Atomic Simulation Enviroment
calculation         cell-relax
pseudo_rcut         10.0
pseudo_mesh         1
ecutwfc              60 ###Energy cutoff needs to be tested to ensure your calculation is reliable.[1]
basis_type          lcao
ks_solver           genelpa
smearing_method     gaussian
smearing_sigma      0.01
mixing_type         broyden
mixing_beta         0.7
scf_nmax            100
scf_thr             1e-08
kspacing            0.04 ### Abacus will generate/overwrite a KPT file when kspacing is used.
relax_nmax          100
cal_force           1
force_thr           0.001
cal_stress          1
stress_thr          0.01
out_stru            1


### [1] Energy cutoff determines the quality of numerical quadratures in your calculations.
###     So it is strongly recommended to test whether your result (such as converged SCF energies) is
###     converged with respect to the energy cutoff.
