[Pw_forum] output not written in .dynG file

Mohan maruthi sena maruthi.sena at gmail.com
Fri Aug 14 20:09:54 CEST 2015


Hi all,
            I want to calculate IR spectrum of compound and I am using ph.x
module in quantum espresso. The input for phonon calculation is as follows:
! Generated by using cif2qe Version  - Date: Thu Aug 13 23:41:55 IST 2015
!   _symmetry_space_group_name_H-M =
!   _symmetry_Int_Tables_number = 1
!   _symmetry_cell_setting =
! a=19.0938  b=19.0938  c=19.0938  alpha=90  beta=90  gamma=90
! Found by cif2qe: lattice = cubic    Space group = P1   ibrav = 1
!
!
! Symmetry found:
!   1                        x, y, z    [x]  [ y]  [ z]
!phonons of CO2 in super cell at Gamma
 &inputph
  outdir='./',
  prefix='test',
  amass(1)=15.99,
  amass(2)=12.01,
  amass(3)=1.07,
  amass(4)=28.08,
  amass(5)=26.08,
  amass(6)=22.09,
  fildyn='co2.dynG',
  trans= .true.
 /
0.0 0.0 0.0

When I look in to co2.dynG file, it is empty. Could some tell why this is
output is empty?

Thanks & Regards,
Mohan
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