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[abinit-forum] total energy of GWA


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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



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