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Maybe there are in the qtl file ?
Check the bands with energies just below EF.
Alternatively, try the qtl program to generate case.qtlup/dn
Am 21.11.2011 17:24, schrieb J. K. Balamurugan:
Dear Prof. Blaha,
Thanks for the suggestions. There is no NaN in either case.qtlup/dn file.
I
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