[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
-------------- next part --------------
A non-text attachment was scrubbed...
Name: LDA+Uexample.tgz
Type: application/x-gzip
Size: 54289 bytes
Desc: 
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20041031/c6786401/attachment.bin>


More information about the users mailing list