[Pw_forum] Hubbard_U and Hubbard_alpha

hanghui chen chenhanghuipwscf at gmail.com
Tue Jan 13 10:29:15 CET 2009


Dear PWSCF users,
      I have been recently working on the magnetic properties of
transitional metal oxides and need to turn on Hubbard U. I found that
in PWSCF there are two variables Hubbard_U and Hubbard_alpha. In other
packages like VASP, there are also two variables U (Hubbard U) and J
(Hund's exchange or Stoner parameter). I would like to know what is
Hubbard_alpha. Does it have the same meaning as J in VASP? I read the
menu but could not find the meaning of Hubbard_alpha.
      Thank you very much.


Hanghui Chen
Department of Physics
Yale University



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