[Wien] dos of bcc iron

[delamora]

Sometimes you have to increase the emax in case.in1

K-VECTORS FROM UNIT:4   -7.0      ***2.5***    13   red emin/emax/nband

________________________________
De: wien-bounces at zeus.theochem.tuwien.ac.at <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de ding <dingmingcui at qq.com>
Enviado: jueves, 24 de julio de 2014 03:54 a.m.
Para: wien2klist
Asunto: [Wien] dos of bcc iron

Dear all
 I am calculating the density of states of the bcc iron, the lattice parameter is 5.416902 Bohr, the space group is NO. 229, the problem I encoutered is that when calculating the density of states, the plotted range of energy is alway less than the Fermi level, ?
I see in the case.int file that the Emax is lager than the Fermi level, could someone help me to see why the plotted range of energy is  less than the Fermi level? ?
Thanks a lot
Mingcui
Tongji universigy China
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