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[abinit-forum] Hartree Fock corrections


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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




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