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 > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -- 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