INPUT_PARAMETERS
# Created by Atomic Simulation Enviroment
calculation         cell-relax
relax_nmax	    100
force_thr_ev        0.01
stress_thr          1
relax_method        bfgs
out_stru            1
out_level           ie
pseudo_rcut         10.0
pseudo_mesh         1
ecutwfc              60 ###Energy cutoff needs to be tested to ensure your calculation is reliable.[1]
basis_type          pw
ks_solver           cg
smearing_method     gaussian
smearing_sigma      0.01
mixing_type         broyden
mixing_beta         0.7
scf_thr             1e-08
cal_force           1
cal_stress          1
kspacing            0.12 ### Abacus will generate/overwrite a KPT file when kspacing is used.
chg_extrap          second-order #atomic; first-order; second-order; dm:coefficients of SIA
pseudo_dir	    ../../../tests/PP_ORB



### [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.
