[Wien] Fwd: lcore error

samaneh javan samjavan at gmail.com
Tue Apr 17 11:39:16 CEST 2007


---------- Forwarded message ----------
From: samaneh javan <samjavan at gmail.com>
Date: Apr 15, 2007 7:42 PM
Subject: lcore error
To: Wien at zeus.theochem.tuwien.ac.at

Dear users,
  I started optimizing kpoints for my case(C60).Everything were ok till 343
kpoints at this number up to higher I have lcore error at first
itteration .my lcore error:
'CORE' - NSTOP= 362 positive eigenvalue for  1S  Atom:   0  C1
 'CORE' - Try to apply a potential shift in case.inc

I would not use open core, I don`t know if I shift the potential in
case.incfile, there is anything wrong whit my case or
not.In other word what would happen physically on my case?
thanks in advance for your suggestion.
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