mirror of https://gitlab.com/QEF/q-e.git
35 lines
788 B
Plaintext
35 lines
788 B
Plaintext
&CONTROL
|
|
prefix = 'si'
|
|
outdir = '../out'
|
|
kcw_iverbosity = 1
|
|
kcw_at_ks = .false.
|
|
calculation = 'ham'
|
|
lrpa = .false.
|
|
mp1 = 4
|
|
mp2 = 4
|
|
mp3 = 4
|
|
read_unitary_matrix = .true.
|
|
l_vcut = .false.
|
|
/
|
|
&WANNIER
|
|
seedname = 'wann'
|
|
check_ks = .true.
|
|
num_wann_occ = 8
|
|
num_wann_emp = 8
|
|
have_empty = .true.
|
|
has_disentangle = .true.
|
|
/
|
|
&HAM
|
|
do_bands = .true.
|
|
use_ws_distance = .true.
|
|
write_hr = .true.
|
|
on_site_only = .true.
|
|
/
|
|
K_POINTS crystal_b
|
|
5
|
|
0.50000 0.50000 0.50000 15 ! L
|
|
0.00000 0.00000 0.00000 15 ! G
|
|
0.50000 0.00000 0.50000 15 ! X
|
|
0.37500 0.37500 0.75000 15 ! K
|
|
0.00000 0.00000 0.00000 1 !G
|