Dear all
I obtain U from linear response that implemented in espresso for ZnO? bulk. But
the differences?? between
d(alpha)/d(n) - d(alpha)/d(n0)
is very large. For d(alpha)/d(n)=463.43 and for
d(alpha)/d(n0) = 69.05.
Is it because that the d orbital for Zn is full or has another reason/
Thanks a lot
Ali Kazempour
Physics department, Isfahan University of Technology
84156 Isfahan, Iran. Tel-1: +98 311 391 3733
Fax: +98 311 391 2376 Tel-2: +98 311 391 2375
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