INPUT_PARAMETERS
#Parameters     (General)
calculation     scf

pseudo_dir      .
#Parameters (Accuracy)
ecutwfc         40
scf_nmax        20
scf_thr         1e-7
symmetry        -1
#Parameters (Smearing)
smearing_method fd
smearing_sigma  0.367493036
#Parameters (MD)
md_tfirst       58022.52706
md_dt           2
md_nstep        100
md_type         nvt
md_thermostat   nhc
basis_type      pw
# dft_functional  XC_GGA_X_PBE+XC_GGA_C_PBE
dft_functional  hse
# exx_hse_omega   0.106
pseudo_rcut     16
nspin           1

out_chg         1

mixing_type             pulay
mixing_beta             0.2
mixing_gg0              1.5

#Parameters (6.Conductivity)
cal_cond         1
cond_smear       1
cond_fwhm        0.4
cond_wcut        20
cond_dw          0.02
cond_dt          0.1
# cond_nonlocal    false
