Describe the Code Quality Issue
In examples/36_gpu/si16_lcao/INPUT :
INPUT_PARAMETERS
#Parameters (1.General)
suffix autotest
calculation scf
device gpu
gamma_only 1 # GPU acceleration currently only support gamma_only set to 1. ### Abacus will generate/overwrite a KPT file when gamma_only is set to 1.
ks_solver cusolver # if not set, the default ks_solver is cusolver,
# you can also choose genelpa or scalapack_gvx.
#nbands 8
symmetry 1
#Parameters (2.Iteration)
ecutwfc 100 ###Energy cutoff needs to be tested to ensure your calculation is reliable.[1]
scf_thr 1e-6
scf_nmax 100
cal_force 1
cal_stress 1
#Parameters (3.Basis)
basis_type lcao
#Parameters (4.Smearing)
smearing_method gauss
smearing_sigma 0.002
#Parameters (5.Mixing)
mixing_type broyden
mixing_beta 0.3
### [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.
But LCAO-GPU support multi k-points calculation, and also ks_solver should be one of cusolver, cusovlermp and elpa
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Describe the Code Quality Issue
In examples/36_gpu/si16_lcao/INPUT :
But LCAO-GPU support multi k-points calculation, and also
ks_solvershould be one ofcusolver,cusovlermpandelpaAdditional Context
No response
Task list for Issue attackers (only for developers)