[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


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