mirror of https://gitlab.com/QEF/q-e.git
57 lines
897 B
Plaintext
57 lines
897 B
Plaintext
--
|
|
&inputepw
|
|
prefix = 'diam'
|
|
amass(1) = 12.01078
|
|
outdir = './'
|
|
|
|
iverbosity = 3
|
|
|
|
elph = .true.
|
|
etf_mem = 0
|
|
vme = 'dipole'
|
|
|
|
epwwrite = .false.
|
|
epwread = .true.
|
|
|
|
nbndsub = 4
|
|
|
|
wannierize = .false.
|
|
num_iter = 300
|
|
iprint = 2
|
|
dis_win_max = 12
|
|
dis_froz_max= 7
|
|
proj(1) = 'f=0,0,0:l=-3'
|
|
|
|
elecselfen = .false.
|
|
nest_fn = .false.
|
|
phonselfen = .false.
|
|
a2f = .false.
|
|
|
|
specfun_el = .true.
|
|
wmin_specfun = -4
|
|
wmax_specfun = 1
|
|
nw_specfun = 20
|
|
|
|
fsthick = 15 ! eV
|
|
temps = 300 ! K (same as PRB 76, 165108)
|
|
degaussw = 1.0 ! eV
|
|
|
|
dvscf_dir = './save/'
|
|
|
|
nkf1 = 6
|
|
nkf2 = 6
|
|
nkf3 = 6
|
|
|
|
nqf1 = 6
|
|
nqf2 = 6
|
|
nqf3 = 6
|
|
|
|
nk1 = 3
|
|
nk2 = 3
|
|
nk3 = 3
|
|
|
|
nq1 = 3
|
|
nq2 = 3
|
|
nq3 = 3
|
|
/
|