[Wien] إعادة توجيه: EF not accurate

[Laurence Marks]

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>:
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> I use calcul simple for propreté structural at Ni doped SrTiO3,
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> I used the structure to attached  and in initialisation utilise separation energie=-6,  Rmt*Kmax=5 and K
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> piont =1, but at scf (cucle 1 LAPW2C not finished but give WARNING:
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> 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