[Wien] Problem with orbital moment.

Ruben Weht ruweht at cnea.gov.ar
Wed May 26 23:21:52 CEST 2004


Dear Dr. Blaha and Wien users,

I am trying to calculate the orbital moment of a hexagonal system 
along its main axis.

To do this, I run Wien2k with the spin-orbit coupling parallel 
to the c axis and perpendicular to it and then I tried
to run lapwdm to get the density matrix and the orbital moment.

When I choose the axis of the spin along c everything looks fine.
However, when I tried to find the orbital moment for the 
spin perpendicular to the c axis lapwdm stopped without 
any message but also without calculating the orbital moment.

Am I doing the correct stuff?
I will appreciate any help you can give me about this subject.

Best,

   Ruben

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|  Ruben Weht                                   |
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