[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 |
| Departmento de Fisica - CNEA |
| Avda. General Paz y Constituyentes |
| 1650 - San Martin - ARGENTINA |
| Email: ruweht at cnea.gov.ar |
| Tel: (54-11) 6772-7104 |
| Fax: (54-11) 6772-7121 |
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