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Orbital Polarization Correction
Date: 2007/11/30 17:45
Name: A.Sebetci

Dear Dr. Ozaki,

I would like to implement an orbital polarization correction term (PRB, 42, 2707) into OpenMX in the form -R.L^2/2 where R is a Racah parameter (Phys.Rev.62,438) and L is the orbital moment of the system.

In order to be sure that the implementation would be true and could be done quickly, I need your guidance especially for the selection of the user-defined functions of the program where a modification has to take place.

With my best regards,

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Re: Orbital Polarization Correction ( No.1 )
Date: 2007/12/19 04:57
Name: T.Ozaki


Thank you for your proposal. It looks interesting.
When you encounter the problem, please let me know
what you are facing.



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