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- From: <mailoliver@163.com>
- To: forum@abinit.org
- Subject: [abinit-forum] total energy of GWA
- Date: Thu, 30 Apr 2009 07:00:44 +0200 (CEST)
Dear all:
I try to get total energy of GWA. I try to do:
1. calcuating total energy and band energy by self consistent LDA or GGA
2. calcuating quasiparticle energies of all the k points in Brillouin zone. It
needs do self consistent for energy and wavefunction?
3. total energy(GWA)=total energy(LDA)-band energy(LDA)+band energy(GWA)
It is right?
Any comments or suggestions are wellcome.
Tieyu Lu
- [abinit-forum] total energy of GWA, mailoliver, 04/30/2009
- Re: [abinit-forum] total energy of GWA, Fabien Bruneval, 04/30/2009
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