[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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