[Wien] DOS

delamora delamora at unam.mx
Sat Sep 30 07:34:40 CEST 2017


I calculated ZnO in the Zinc blende structure
FCC
A=B=C=4.6A
Zn: 0,0,0
O: 1/4,1/4,1/4
And when I am calculating DOS I get a plot that stops at 3eV which is in the gap
In case.in1c I increased the bottom numbers:
"de" 1.5 => 15.5
"nband" 20 => 30
and I do not see any improvement in the DOS plot

Pablo

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