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how to get the charge mulliken of atoms from OUTCAR

Posted: Thu Nov 13, 2008 12:23 am
by rghomari
Hello every users of VASP.
i have somes questions:
1) how i can get the enrgy zero-point, is the VASP program working at 0°K temprature?.and which command must I put in the INCAR file .
2) how can I get the atoms mulliken charge from OUTCAR (what command will i use in the INCAR file)
Thank you.

how to get the charge mulliken of atoms from OUTCAR

Posted: Mon Nov 17, 2008 1:52 pm
by admin
DFT is based on the 0-K ground state.
please have a look at http://theory.cm.utexas.edu/bader/