INPUT_PARAMETERS
#Parameters (1.General)
suffix                 aims-benchmark-tdhf
pseudo_dir              /home/fortneu49/LR-TDDFT/abacus-develop/tests/PP_ORB
orbital_dir                 /home/fortneu49/LR-TDDFT/abacus-develop/tests/PP_ORB
calculation             scf
nbands                4
symmetry               	0

#Parameters (2.Iteration)
ecutwfc                  60 ###Energy cutoff needs to be tested to ensure your calculation is reliable.[1]
scf_thr                     1e-6
scf_nmax                   100

#Parameters (3.Basis)
basis_type              lcao 
gamma_only              1 ### Abacus will generate/overwrite a KPT file when gamma_only is set to 1.
nspin 2

#Parameters (4.Smearing)
smearing_method                gaussian
smearing_sigma                   0.015

#Parameters (5.Mixing)
mixing_type             pulay
mixing_beta             0.4
mixing_gg0 0.0


exx_real_number 1
lr_nstates 3
nvirt 3
xc_kernel hf
lr_solver lapack

esolver_type lr
ri_hartree_benchmark aims
aims_nbasis 5
read_file_dir aims-files


### [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.
