mirror of https://gitlab.com/QEF/q-e.git
22 lines
315 B
Plaintext
22 lines
315 B
Plaintext
&input
|
|
prefix = 'BAs'
|
|
outdir = './'
|
|
use_irr_q = .true.
|
|
|
|
ahc_dir = './ahc_dir.2/'
|
|
flvec = 'BAs.modes2'
|
|
ahc_nbnd = 9
|
|
ahc_nbndskip = 0
|
|
|
|
eta_eV = 0.02d0
|
|
efermi_eV = 8.7d0
|
|
temp_kelvin = 300.0
|
|
|
|
amass_amu(1) = 10.81
|
|
amass_amu(2) = 74.922
|
|
|
|
ahc_win_max_eV = 13.0
|
|
ahc_win_min_eV = -100.0
|
|
/
|
|
|