#this is the input of using counterpoise to correct the BSSE error
#
INPUT_PARAMETERS
#Parameters	(General)
pseudo_dir		../../../tests/PP_ORB
orbital_dir		../../../tests/PP_ORB
#Parameters (Accuracy)
ecutwfc			 60 ###Energy cutoff needs to be tested to ensure your calculation is reliable.[1]
scf_nmax		100
scf_thr                 1e-6
basis_type		lcao

gamma_only 1 ### Abacus will generate/overwrite a KPT file when gamma_only is set to 1.

smearing_method gauss
smearing_sigma 0.015


### [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.
