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Formation Energy

Posted: Tue Feb 05, 2013 3:39 pm
by sunny
To calculate formation energy of charged state, I need to know valence band maximum. Can I find valence band maximum without doing band structure calculations using VASP?

Thank you in advance.

Formation Energy

Posted: Thu Feb 07, 2013 12:38 pm
by admin
Check in OUTCAR the band energies of the last occupied band over the whole set of k-points.