[Pw_forum] structure optimization with LDA+U
Jun Dai
jdai3 at mail.ustc.edu.cn
Thu May 14 10:38:36 CEST 2009
Dear QE users,
I tried to do a vc-relax optimization within LDA+U, but there's an error saying
"pseudopotential not yet inserted", so is it possible to do optimizations with
lda+u in QE, if yes, how? Thanks.
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Best regards,
Jun Dai
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J. Dai
Ph.D. Candidate,
Hefei National Laboratory For Physical Sciences at the Microscale,
University of Science and Technology of China,
Hefei, Anhui, 230026,
People's Republic of China
Tel.: 86-551-3606428
Fax.: 86-551-3602969
E-mail: jdai3 at mail.ustc.edu.cn
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