[Wien] Fwd: help for slab

Fred Nastos nastos at physics.utoronto.ca
Wed Sep 15 16:13:44 CEST 2004


Please explain the problem you are having, and maybe we (as in, the wien users 
in general) can help you.

Sometimes, I help someone off the mailing list, but that is when it is a very 
very detailed problem.  I think it's best for everyone, if general questions 
like this are answered on the mailing list so others can all learn.

As for the slab calculation, I "cheat" for my supercell, in that the positions 
of the atoms come from another code (a pseudopotential code).  I then 
generate the struct file using w2web, and let the initialization programs do 
their "magic". If you are trying to relax the structure with WIEN2k, there 
are others who know infinitely more.

----------  Forwarded Message  ----------
Subject: help for slab
Date: September 15, 2004 02:29 am
From: "R.K.Thapa" <rktt at sancharnet.in>
To: Fred Nastos <nastos at physics.utoronto.ca>

Dear Fred,
Can you please help me as how one can proceed with the slab
calculations. I just cannot do as I am a beginner.
Thanks,
R.K.Thapa
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