[Pw_forum] pseudopotential with a hole in the s state

Mansoureh Pashangpour mansourehp at gmail.com
Sat Aug 9 08:15:19 CEST 2014


 Dear all,
To a Xspectra calculation I need a pseudopotential with a hole in the s
state for Mo atom. How can I obtain this pseudopotential to simulate
core-hole effects?
Please let me know how can I construct this pseudopotential.
Thanks alot
M. pashangpour
IAU, Tehran, Iran
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