[Pw_forum] dyn file is empty for IR calculation

[Yong Xue]

Dear All
I want to calculate IR spectrum for a system composed of C, H and O atom. I
have calculated the scf, however, in the second step, for the calculation
of phonons, effective charges, and Raman coefficients at wavevector
*q*=(0,0,0),
I always get empty dyn file though I can obtain the output file normally.
I used  H_blyp-van_ak.UPF , C_blyp-van_ak.UPF and O_blyp-van_ak.UPF
pseudopotential files.



Here is my input:

Normal modes for CO2-H2

&inputph

tr2_ph=1.0d-14

prefix='CO2-H2'

amass(1)=1.000

amass(2)=12.000

amass(3)=16.000

outdir ='./tmp/'

trans =.true.

asr =.true.

fildyn ='CO2-H2.dyn'

/

0.0 0.0 0.0
thanks in advance.
Xue

Ms. Xue  Yong(雍雪)
Department of Physics and Engineering Physics
University of Saskatchewan
116 Science Place
Saskatoon, SK S7N 5E2
Canada
Tel: +1 306 261 2369
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