[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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