[Pw_forum] a question about LDA+U

Stefano de Gironcoli degironc at sissa.it
Sun Oct 31 18:37:08 CET 2004


  Dear Ruijuan Xiao

   I'm including an example of LDA+U calculation with pw.x .
   It works with the current release of ESPRESSO package (at least on my
pc) and will be included among the examples (example 25) from now on.
   There is a README file that discusses some details and peculiarities of
LDA+U calculations.

   best regards,

     Stefano de Gironcoli
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