INPUT_PARAMETERS
#Parameters (1.General)
suffix                 Si_rescaling
calculation            md
nbands                 20
symmetry               0
pseudo_dir             ../../../tests/PP_ORB
orbital_dir            ../../../tests/PP_ORB

#Parameters (2.Iteration)
ecutwfc                 60 ###Energy cutoff needs to be tested to ensure your calculation is reliable.[1]
scf_thr                1e-5
scf_nmax               100

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

#Parameters (5.Mixing)
mixing_type            broyden
mixing_beta            0.3
chg_extrap             second-order

#Parameters (6.MD)
md_type                nvt
md_thermostat          rescaling
md_tolerance           10
md_nstep               10
md_dt                  1
md_tfirst              300
md_tfreq               0.025


### [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.
