[Wien] Mulliken population

2008-10-16 Thread Donghui Guo
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

[Wien] Mulliken population

2008-10-16 Thread Peter Blaha
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