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Total Energy from GW

Posted: Tue Mar 12, 2013 2:13 am
by Malediction
Can anyone tell me how to get the total energy from a scGW calculation?

I can't find anything in the OUTCAR and the release notes list this feature as being experimental. I urgently need to correlate some total energies with structures.

I apologise is this has been answered here before but I could not find an answer.

Total Energy from GW

Posted: Sat Mar 16, 2013 6:50 am
by Malediction
Anyone?

Total Energy from GW

Posted: Mon Mar 18, 2013 2:22 pm
by admin
GW approach is used to calculate energies of quasiparticles to get more realistic band gaps. Total GW energy is not calculated.