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Li pseudopotential including 1s state in valence


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  • From: vincent.mauchamp@cnrs-imn.fr
  • To: forum@abinit.org
  • Subject: Li pseudopotential including 1s state in valence
  • Date: Thu, 9 Mar 2006 13:29:36 +0100

Dear ABINIT users,
I am a new pseudopotential user and I would like to generate a
pseudopotential
for Li with GGA_PBE 96 functionnal using the fhi98pp code. The aim is to
include
both 1s and 2s states in valence (this kind of pseudopotential was reported
for Li in PRB 65 214302).
How is it possible to generate such a pseudopotential including 2 s
projectors ?

Thanks

Vincent



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