Dear all,
Is there anyone can tell how to check/calculate Mulliken population?
I didn't find it in usersguide.
Thank you!
Best regards,
Yours,
Donghui Guo
2008-10-16
Donghui Guo
Catalysis Research Center (CRC)
Hokkaido University
21-10
There's no Mulliken population in WIEN2k.
We have partial charges within atomic spheres instead.
Donghui Guo schrieb:
Dear all,
Is there anyone can tell how to check/calculate Mulliken population?
I didn't find it in usersguide.
Thank you!
Best regards,
Yours,
Donghui Guo
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