[QE-users] Bands.x calculation in QE-GPU

DongKyu Lee risinghermes at gmail.com
Thu Jun 28 17:07:54 CEST 2018


Dear all,

I want to know how to do band calculation after scf calculation using
QE-gpu.
I know qe-gpu does not have bands.x.
I tried to turn the result of the QE-GPU to the CPU version QE. However,
since the 'xml' format of QE-gpu and regular QE is different, I got a
segmentation fault massage.

How can I do that?

Sincerely,

Dongkyu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180629/073040af/attachment.html>


More information about the users mailing list