<DIV>Dear Sir </DIV> <DIV>My name is Yamina Mani, I am student at M’hemed Bougarra University in Algeria where actually I 'am preparing my dissertation on ?( c'est quoi deja le sujet de ton memoire?). the worke i am doing now is with Wien2k program. ( tu utilise Wien 2k pour?)</DIV> <DIV> </DIV> <DIV>My problem is that, when I calculate the charge density of my supercell structure of Al2O3, my Fermi energy is inconsistency corrected.</DIV> <DIV>here is my file of SCF2:</DIV> <DIV><FONT size=2> <div>:GMA : POTENTIAL AND CHARGE CUT-OFF 12.00 Ry**.5</div> <div>Insulator, EF-inconsistency corrected</div> <div>Bandranges (emin - emax):</div> <div>:BAND : 80 -0.007102 -0.007102</div> <div>:BAND : 81 0.000025 0.000025</div> <div>:BAND : 82 0.009383 0.009383</div> <div>:BAND : 83 0.019271 0.019271</div> <div>:BAND : 84 0.031401 0.031401</div> <div>:BAND : 85 0.035468 0.035468</div> <div>:BAND : 86 0.043687 0.043687</div> <div>:BAND :
87 0.047373 0.047373</div> <div>:BAND : 88 0.073532 0.073532</div> <div>:BAND : 89 0.086143 0.086143</div> <div>:BAND : 90 0.114314 0.114314</div> <div>:BAND : 91 0.205479 0.205479</div> <div>:BAND : 92 0.426897 0.426897</div> <div>:BAND : 93 0.449277 0.449277</div> <div>:BAND : 94 0.561603 0.561603</div> <div>:BAND : 95 0.575239 0.575239</div> <div>Energy to separate low and high energystates: -0.44477</div> <div> </div> <div>:NOE : NUMBER OF ELECTRONS = 180.000</div> <div>:FER : F E R M I - ENERGY(TETRAH.M.)= 0.11431</div></FONT></DIV> <DIV> </DIV> <DIV>I will be grateful, if you can give or help me to find a solution to my problem,</DIV> <DIV> </DIV> <DIV>yours sincerely</DIV> <DIV> </DIV> <DIV>Mani Yamina</DIV> <DIV> </DIV><p> 
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