[Wien] orbital moment

[Gerhard Fecher]

did you ask in case.indm or case.indmc
to calculate the orbital moment ?

Ciao
Gerhard

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "tripurari sinha [sinha_tp at yahoo.com]
Gesendet: Montag, 12. September 2011 08:44
Bis: blaha at theochem.tuwien.ac.at
Cc: Wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] orbital moment

Dear Prof. Blaha,

I have calculated the spin-orbit effect with spin-polarized calculations for a tetragonal perovskite system contains lanthanide.

According to the userguide first I run simple scf cycle with spin-polarized condition then save the data and after that I include spin-orbit effect.

The programme is successfully terminated but I am unable to find the orbital magnetic moment of lanthanide ion.

In case.scf files I found only spin dependent magnetic moment.

Will you be kind enough to let me know where I will find the orbital magnetic moment.

With regards,
T. P. Sinha

From: Prof. T. P. Sinha
Department of Physics
Bose Institute
93/1, Acharya Prafulla Chandra Road
Kolkata - 700009, India
Cell No. 09830159422