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- From: jacky even <jacky.even@insa-rennes.fr>
- To: forum@abinit.org
- Subject: [abinit-forum] Hartree Fock corrections
- Date: Mon, 26 Oct 2009 13:39:08 +0100
Dear all,
i have a few questions concerning Hartree-Fock corrections (test86 and test87 for Si FCC, version 4.x) :
- Is it true that Hartree-Fock corrections calculated self-consistently (like in test87.in) would lead finally to a solution equivalent (eigenvalues and wavefunctions) to a true Hartree-Fock simulation ?
- The "getscr" is set in test86.in and test.87 for this calculation : is it really used ? (and in which step of the correction ?)
yours sincerely,
Jacky Even
FOTON, UMR6082
INSA de Rennes, France
- [abinit-forum] Hartree Fock corrections, jacky even, 10/26/2009
- Re: [abinit-forum] Hartree Fock corrections, Fabien Bruneval, 10/26/2009
- Re: [abinit-forum] Hartree Fock corrections, jacky even, 10/26/2009
- Re: [abinit-forum] Hartree Fock corrections, Fabien Bruneval, 10/26/2009
- Re: [abinit-forum] Hartree Fock corrections, jacky even, 10/26/2009
- Re: [abinit-forum] Hartree Fock corrections, Fabien Bruneval, 10/26/2009
- Re: [abinit-forum] Hartree Fock corrections, jacky even, 10/26/2009
- Re: [abinit-forum] Hartree Fock corrections, Fabien Bruneval, 10/26/2009
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