[Sax-project-users] total energy

marsamos at democritos.it marsamos at democritos.it
Thu Nov 26 16:50:24 CET 2009


Nowhere, almost all GW implementations gives only the band structure 
(states N+1 and N-1, where N is the number of electrons). DFT is 
expected to give the correct total energy at fixed charge.

bests

Layla

Quoting kazempoor at ph.iut.ac.ir:

>
> Hi ALL
> How does the GW change the total energy of system? in which file is written?
> thanks a lot
> Ali Kazempour
> Physics Department, Isfahn University of Technology
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