quantum-espresso/PHonon/examples/example18/reference/LiCoO2.phq.in

12 lines
287 B
Plaintext

phonons of LiCoO2 at finite q
&inputph
prefix = 'LiCoO2',
outdir='/scratch/timrov/QE_gitlab/tmp1/q-e/tempdir/',
tr2_ph = 1.0d-14,
amass(1) = 58.933194,
amass(2) = 15.999,
amass(3) = 6.94,
fildyn='LiCoO2.dynq',
/
0.000000000000000 0.000000000000000 0.250000000000000