quantum-espresso/test-suite/ph_ahc_bas/matdyn1.in

17 lines
452 B
Plaintext

&input
asr = 'crystal'
amass(1) = 10.81
amass(2) = 74.922
flfrc = 'BAs.fc'
flvec = 'BAs.modes1'
flfrq = ''
q_in_band_form = .false.
q_in_cryst_coord = .false.
loto_disable = .true.
/
3
0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00
0.500000000000000E+00 -0.500000000000000E+00 0.500000000000000E+00
0.000000000000000E+00 -0.100000000000000E+01 0.000000000000000E+00