quantum-espresso/test-suite/epw_wfpt/epw12.in

52 lines
756 B
Plaintext

--
&inputepw
prefix = 'BAs'
amass(1) = 10.81
amass(2) = 74.922
dvscf_dir = './save/'
elph = .true.
iverbosity = 0
etf_mem = 0
epw_memdist = .true.
use_ws = .false.
lpolar = .true.
vme = 'dipole'
degaussw = 0.02 ! eV
temps = 0.0 600.0
filkf = 'kpath.GammaX.txt'
nqf1 = 3
nqf2 = 3
nqf3 = 3
nbndsub = 4
lwfpt = .true.
elecselfen = .true.
ahc_nbnd = 4
ahc_win_max = 100.0
ahc_win_min = -100.0
lifc = .false.
efermi_read = .true.
fermi_energy = 8.70
elecselfen_type = 'adiabatic'
wannierize = .false.
epbread = .false.
epwread = .true.
nk1 = 2
nk2 = 2
nk3 = 2
nq1 = 2
nq2 = 2
nq3 = 2
/