EPW Forum

Hello everyone, I am running calculation to find mobility in MgTe using epw code. I have calculated mobility for 4-4-4 q points and the phonon file is also for 4-4-4 q points. The k points is in scf-16, nscf-512 total , epw1-8-8-8, epw2-8-8-8. The electron mobility is resulted in epw2.out but its ...

Hello Hari, Thanks for the suggestion. I've checked again and prefix for all the calculation; scf>phonon and scf>nscf>epw1 is same - 'rs'. But there is a rs.save folder in out directory of epw folder. Is this error is due to this folder or what ? I've tried a lot with everything like copying this ...

Dear H. Lee, The problem with python script get solved and save folder containing all the data set for epw is successfully generated. But after that I'm running epw1.in and it's still showing the following error. Where exactly this save folder and rs.save should be ? Please help me with this ...

Dear H. Lee,

Thanks for the quick note!

In the out directory of phonon there is rs.save folder ('rs' is prefix) and the file data-file-schema.xml is present there. Should I take rs.save folder out side from the out directory of phonon folder ? Please reply.

Sincerely,
Maitryj

Hello everyone, After successful calculation of scf and phonon, while applying the python scfript- "python ../../EPW/bin/pp.py" and entering the prefix I used for my phonon calculation. The script is showing this type of error. And due to this following error I can't run my epw file, because there ...

Hello,

Can anyone explain about the quadrupole.fmt file ? Is it needed for calculation phonon limited mobility including electro-phonon coupling ( in epw1.in file)? Which are the ways to conduct file ?

Hello, I want to run a calculation for finding phonon limited mobility of MgTe inclusion of electron-phonon coupling. scf and phonon calculations done successfully but epw1 calculation shows following error. I am attaching scf, ph and epw input file here. Please guide me how to correct my epw1.in ...