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HGH and HFN PP with spin-orbit

From: Sahu <sahu@matter1.ph.utexas.edu>
To: forum@abinit.org
Cc: gonze@pcpm.ucl.ac.be
Subject: HGH and HFN PP with spin-orbit
Date: Wed, 31 Mar 2004 10:43:23 -0600 (CST)

Hi Abiniters

I have sent two queries to the forum list over past two days regarding:

1)How to generate the GGA PP file for HGH form of PP which can then be
used
for spin-orbit coupled solid state calculations. On the abinit web there
are no GGA HGH PP files for the atoms we are interested in namely Ga, As
and Mn.

2) how to generate the HFN form of PP so that it can then be
used for spin-orbit coupled solid state calculation.On the abinit web
there are no mention of this form of HFN PP.

3) It seems GGA and spin-orbit coupling is not yet implemented with PAW
potentials.Correct me if I am wrong.

I browsed through the FAQ and Archive of Abinit but I could not find the
answer to these queries. May be my search was not perfect.

Pl. let me know if any user has answers to the above queries.

sahu

HGH and HFN PP with spin-orbit, Sahu, 03/31/2004