[Wien] (no subject)

[Peter Blaha]

You must learn to supply sufficient information, such that we can help.

The compound   "425319" does not tell us anything.

I expect that even your struct file is wrong and does not represent the
structure you want to describe. But without details nobody can help.

PS: If you are "lucky", only case.inst file is wrong because you have
changed the struct file after a first trial-initialization.
In this case, remove 425319.inst

Am 27.06.2014 22:37, schrieb sikandar azam:
> Dear All and especially Sir Peter Blaha
> I am facing this problem
> 0.160u 0.004s 0:06.08 2.6%      0+0k 0+1872io 0pf+0w
> ERROR !!! nstop,iter,tets,test 362 1 9.999999974752427E-007 nstop,iter,tets,test 362 1 9.999999974752427E-007
> You have to change your atomic configuration in 425319.inst
> Please help me, how to solve this problem.
> with regards
> sikander
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>

-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-----------------------------------------