[Pw_forum] Regarding XAS calculation

vivek shukla vns391 at gmail.com
Mon Jul 27 15:38:27 CEST 2015


I am new in Quantum espresso and I have to calculate XAS in high pressure.
I am stuck in potentail generation. How can I check that my potential is
suitable for high pressure. I am confused about plane wave cut off and
cutoff radius. How to choose them in PP  generation.


Sincerely
Vivekanand Shukla
Uppsala University
Division of Materials Theory
Physics And Astronomy
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