[Wien] LDA+U & External Field

Sherif Yehia wien542002 at yahoo.com
Sat Oct 11 00:23:34 CEST 2003


Hello All,
  I am working on calculating Magnetic Anisotropy
Energy MAE in SmCo5 I hope to see effect of external
magnetic field.
  I would like to ask if the WIEN2k code allow for
LDA+U and an external field to be applied
simultaneously.
  In the case.inorb file has a switch which can either

call orbital polarization, LDA+U, or an external
magnetic field.(I hope there is another switch to
include both)

  In case Wien2k does not do that I would welcome all
comments ,advice and precaution to  develop better
understanding about the reason of not  including both
effects.

Thanks all for efforts  and time

Sherif Yehia

Physics Dept
Helwan Univ.
Cairo Egypt

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