[Pw_forum] Ph.x code help
Samin, Adib J.
samin.2 at buckeyemail.osu.edu
Mon Aug 25 22:07:52 CEST 2014
Dear Quantum Espresso users,
I am trying to run the ph.x executable using a simple silicon example which I found online. I first perform the scf calculation and save the results and then use the same outdirectory and prefix when running the ph.x code. However, I keep getting the same error which says:
'Error in routine image_q_irr (1):
some images have no rapp'
I have attached the ph input file.
I would really appreciate it if someone can help explain to me why this is happening.
Phonons of Si at Gamma
&inputph
tr2_ph=1.0d-14,
amass(1)=28.0855,
prefix='SIPH',
outdir='/nfs/11/osu7834/'
fildyn='si.dynG',
/
0.0 0.0 0.0
Thanks,
Adib Samin
Adib Samin
Postdoc
The Department of Aerospace and Mechanical Engineering
The Ohio State University
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