[Wien] EF not accurate

Zahia Aboub aboubz at yahoo.com
Sun Mar 18 19:38:13 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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