[Pw_forum] Sn pseudopotential

Hande Ustunel ustunel at sissa.it
Fri Sep 8 15:11:20 CEST 2006

Dear pwscf users,

Has anyone ever used the pw91 Sn pseudopotential from the web site with
success?  I'm failing to verify the experimental lattice constants c and a
for the beta-Sn structure for this pseudopotential and I'm wondering if I'm
making a silly mistake that I can't see. The alpha-Sn lattice constant on
the other hand seems fine and is overestimated by only a 3% difference. I
include my input script to which the input parameters were


Thank you very much in advance,

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