[Wien] dos of bcc iron

ding dingmingcui at qq.com
Thu Jul 24 08:54:04 UTC 2014


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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