mirror of https://gitlab.com/QEF/q-e.git
22 lines
366 B
Plaintext
22 lines
366 B
Plaintext
&input
|
|
asr = 'crystal'
|
|
amass(1) = 12.01078
|
|
flfrc = 'diam.ifc'
|
|
flvec = 'diam.modes2'
|
|
flfrq = ''
|
|
q_in_band_form = .false.
|
|
q_in_cryst_coord = .false.
|
|
|
|
loto_disable = .true.
|
|
/
|
|
8
|
|
0.0 0.0 0.0
|
|
0.5 -0.5 0.5
|
|
-0.5 -0.5 -0.5
|
|
0.0 -1.0 0.0
|
|
0.5 0.5 -0.5
|
|
1.0 0.0 0.0
|
|
0.0 0.0 -1.0
|
|
0.5 -0.5 -0.5
|
|
|