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Hartwigsen-Goedecker-Hutter pseudopotentials


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  • From: jcabellos@cio.mx
  • To: forum@abinit.org
  • Subject: Hartwigsen-Goedecker-Hutter pseudopotentials
  • Date: Wed, 30 Aug 2006 17:54:05 +0200


Dear Abinit Users
Im trying to evalute the non-local contribution Vl(G,G')(in fourier space) to
the pseudopotnetial, form the paper Phys.Rev.B 58, 3641 (1998), then
I would like to know if some subroutine of Abinit(inside of ABINIT code) make
this evaluation(Vl(G,G')) when you are using HGH type psp?
I know that the fourier transform of the projectors pij(G) are evaluted
inside of
ABINIT code... but is Vl(G,G) evaluted by ABINIT ?
Thanks in Advanced




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