Repeating your question will not make anyone pay more attention to you.

I already said that you should be using the cubic structure as this is
what you have made it. Delete ALL your old files then initialize
carefully.

2012/3/18 Zahia Aboub <aboubz at yahoo.com>:
>
>
>
>
> I use calcul simple for propret? structural at Ni doped SrTiO3,
>
>
> I used the structure to attached? and in initialisation utilise separation 
> energie=-6,? Rmt*Kmax=5 and K
>
>
> piont =1, but at scf (cucle 1 LAPW2C not finished but give WARNING:
>
>
> EF not accurate? , new emin,emax,NE-min,NE-max? 0.563205373690868)please 
> halps mi
>
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi

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