[Wien] إعادة توجيه: EF not accurate

Zahia Aboub aboubz at yahoo.com
Sun Mar 18 20:25:30 CET 2012

I use calcul simple for propreté 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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