EPW modified source for the ~Quantum Espresso v7.0~ suite

nakib / elphbolt

A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.

GNU General Public License v3.0

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EPW modified source for the ~Quantum Espresso v7.0~ suite #68

Closed qiuzhanjun closed 2 years ago

qiuzhanjun commented 2 years ago

I am using the newest QE v7.0 and EPW v5.4. I have modified the EPW source code files according to the files of directory EPW/src/ but failed, due to the changes of ndegen_g. Is it possible to provide the modified EPW v5.4 code after the revision of this version?

nakib commented 2 years ago

Hi @qiuzhanjun. Thanks for using elphbolt and for your question! Would you be able to provide more information? For example, did you replace the whole file ephwann_shuffle.f90 of your version of EPW with the one provided with elphbolt? If yes, could you please try for this file adding just the lines 417-458 from elphbolt's version to your version of EPW right below line 389? Let me know if this solves your issue.

Best, Nakib

qiuzhanjun commented 2 years ago

I appreciate your answer. According your advice, I recompiled the epw. Fortunately, it worked and didn't report an error. Next I'll test if it can print out the required files. I will give the feedback later.