EPW Forum

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?

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