[QE-users] QE-GPU and KGEC

[Dario Baratella]

Dear all,

I'm trying to calculate the conductivity tensor by using the KGEC
software included in the qe package. I know that the KGEC code is
compatible with qe until the 6.1 version and for this version the qe
code was still using the old file format to save the wavefunctions.

My problem is that I need to use qe-gpu for the scf calculation (for
efficiency reasons). As far as I know there is no way to compile qe-gpu to
make it save the wavefunctions in the old file format. My question is if
someone knows a code that can turn the new file format  into the old one. I
tried to do a brief research on the web but i didn't find anything.

Thank you so much for your answers.


Dario Baratella
Phd student
University of Milano-Bicocca
Department of Material Science
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