[Pw_forum] Hubbard term U in optical properties

Winfred Mulwa mulwawinfred at gmail.com
Tue Dec 15 08:37:05 CET 2015


Dear all,
I am calculating the optical properties of Gd doped anatase TiO2. My
question is,
should i include the value of U in my input file.
Thank you in advance
Regards
Mulwa Winfred.
D Phil Student, Computational Material Science Group,
University of the Free State - QwaQwa,
South Africa.
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