[Pw_forum] a question about LDA+U

Stefano de Gironcoli degironc at sissa.it
Thu Nov 4 10:58:12 CET 2004

Thank you for spotting the problem, it should be solved  now in the CVS 
Best regards,
     Stefano de Gironcoli

rjxiao wrote:

>Dear Stefano de Gironcoli,
>Thank you very much. It really does work! By reading your detailed README file,I understand this method further.But I also found a little bug in the espresso-2.1. When plus u is used in the calculation, the projwfc.x can not run successfully.An error "array has already allocated" appears.If plus u is not used,projwfc.x can run without any interruption. I just insert a line "deallocate (swfcatom)" in the projwfc.f90 to slove it.But I think you may have a better way to fix this problem.
>Thanks a lot. 
>Best regards,
>Ruijuan Xiao
>Institute of Physics,
>Chinese Academy of Sciences
>Pw_forum mailing list
>Pw_forum at pwscf.org

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