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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