[Wien] Core-hole.....
Lawal Mohammed
mohammedlawal08 at yahoo.com
Sat Nov 7 08:14:32 CET 2015
Dear developers and Users,
I have got two problems, and need your help to understand.
1-I already have two case.structs for alloy and slab, I want to simulate XAS using core-hole. Do I need to create supercell to do this?
2- I have tried to plot band character using OriginPro, with the data from band.agr. But end up with different plot obtained when I used xmgrace.
Thanks for the useful discussion here and for any help in this regard.
Kind regards
Lawal Mohammed
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20151107/feccbfe5/attachment.html>
More information about the Wien
mailing list