Dear Dario,
I don't know anything about format converters, but if you are stuck you
may want to try the accelerated version of QE 6.1 implemented by NVIDIA.
Their code is available here:
https://github.com/fspiga/qe-gpu/
It only works with the "most common" input options (i.e. total energy,
forces, stress, collinear spin, ultrasoft or PAW pseudopotentials).
Best,
Pietro
On 3/18/21 6:27 PM, Dario Baratella wrote:
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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_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
