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- Tue Jan 11, 2011 2:10 pm
- Forum: Bader
- Topic: LDA+U problem
- Replies: 0
- Views: 14065
LDA+U problem
Dear all, I used the Bader code to analyze results obtained on vanadium oxides with VASP, with PAW pseudos and LSDA calculations. Using the correct keyword, I was able to analyze the charge density file obtained from the addition of AECARR0 and AECCAR2 and the results looked fine. Then, I did the sa...