[Wien] state of all valence charge

kongshi kongshi at hotmail.com
Tue Dec 20 13:52:22 CET 2005


I could find ":CHA  : TOTAL CHARGE INSIDE UNIT CELL" in SCF file. But the
total is not equal to the real total valence charges. 

How can I find the other part charge states? 

 

 

 

 

 

Dear users:

     I want to get the states of all valence charge after SCF. While I only
can find states of partial charge in muffin tin from SCF file. I can't find
the state of the charge outside the muffin tin.

     Could you tell me how to find all charges' state?

 

 

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