[Wien] Regarding extension in XAS energy window

sikander Azam sikander.physicst at gmail.com
Tue May 24 09:45:03 CEST 2016


Dear Petr Blaha/All
I am familiar with the XAS calculation and can plot only up to 20 eV. Now
please someone guide me that how to increase the energy window up to 50 eV.
Though I do the following changes in
case.inxs the energy up to 50 eV,
Broadening 0.5
Then
x initxspec
x tetra
x tspec
x lorentz
But with this procedure still i have the energy window up to 20 eV.
Note: I also include the core hole effect in my calculation.
Thanks in advance.
Regards
Azam
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