[Wien] [Wien2k Users] Global Energy parameter

Ghosh SUDDHASATTWA ssghosh at igcar.gov.in
Wed Jan 27 14:26:40 CET 2010


Dear Wien2k users, 

I have a general question on the global energy parameter in case.in1 file. 

In which case the energy parameter is different for d and f orbitals?

If they are kept same and that is what I usually do, then what would be the
implication of having it different in the .in1 file for d and f orbitals? 

 

Any suggestions?

Suddhasattwa 

 

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