[Pw_forum] Hubbard U in the version 4.2

hanghui chen chenhanghuipwscf at gmail.com
Thu Jul 1 23:45:15 CEST 2010


Dear QE developers,
       My previous email which reports a possible bug in the version 4.2 is
pending because the attached input and output files are too large. Now I
want to give a brief report here: I tried Hubbard U in the latest version
4.2 and found the contribution of Hubbard U to the total energy is always
zero and more mysteriously the code crashes right before the forces are
calculated. I am just wondering if any one else has the same problem when
turning on the Hubbard U in the version 4.2.
       Thank you very much.

Hanghui Chen
Department of Physics
Yale University
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