mirror of https://gitlab.com/QEF/q-e.git
28 lines
560 B
Plaintext
28 lines
560 B
Plaintext
&CONTROL
|
|
prefix = 'si'
|
|
outdir = '../out'
|
|
kcw_iverbosity = 1
|
|
kcw_at_ks = .false.
|
|
calculation = 'screen'
|
|
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.
|
|
/
|
|
&SCREEN
|
|
tr2 =1.0d-18
|
|
nmix = 4
|
|
niter = 33
|
|
i_orb = 1
|
|
/
|