Dear Carla,
Please can you elaborate more on that new subdirectory in EPW4? My save folder only contains all the .dyn and the .dvscf files obtained via ph.x (in the form .dyn_q01 and .dvscf_q01). Any more files that have to be there as well?
EPW just stops (with no errors)
Moderator: stiwari
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eliephys78
- Posts: 82
- Joined: Thu May 05, 2016 5:18 pm
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Re: EPW just stops (with no errors)
Physics Department
university of Rondonia Brazil
Porto Velho- Rondonia
university of Rondonia Brazil
Porto Velho- Rondonia
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carla.verdi
- Posts: 155
- Joined: Thu Jan 14, 2016 10:52 am
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Re: EPW just stops (with no errors)
Hi,
for easiness please refer to the examples as a reference, for example to the diamond one which is also in the form of a tutorial at http://epw.org.uk/Documentation/B-dopedDiamond .
The script pp.py extracts all the necessary files and puts them in the 'save' folder. You will see that the file names are slightly different and that there is a subdir 'prefix.phsave' that contains mainly the displacement patterns.
Hope this helps,
Carla
for easiness please refer to the examples as a reference, for example to the diamond one which is also in the form of a tutorial at http://epw.org.uk/Documentation/B-dopedDiamond .
The script pp.py extracts all the necessary files and puts them in the 'save' folder. You will see that the file names are slightly different and that there is a subdir 'prefix.phsave' that contains mainly the displacement patterns.
Hope this helps,
Carla