how to get the charge mulliken of atoms from OUTCAR

Message

rghomari · #1 Post by **rghomari** » Thu Nov 13, 2008 12:23 am

Hello every users of VASP.
i have somes questions:
1) how i can get the enrgy zero-point, is the VASP program working at 0Â°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.

#2 Post by **admin** » Mon Nov 17, 2008 1:52 pm

DFT is based on the 0-K ground state.
please have a look at http://theory.cm.utexas.edu/bader/