[Wien] coordinate system

[YONGBIN LEE]

Dear Wien2k Users
   Thank you Prof. Blaha for your answer.
 What I'm practicing is to constrain magnetic states  with "-orbc" option. For this option, I should make *.vorbup, *.vorbdn files by hand. I don't think it is a big trouble if I have an unit matrix for the local coordinate and (001) magnetic moment. For 4f state it is not too bad if I take care only diagonal components of real part of the orbital potential. But if the local coordinate is not an unit or magnetic moment is not in (001) I think I should rotate my orbital potential which has only diagonal components.
I have trouble to understand and to get this rotation matrix. How can I rotate an orbital potential which is represented on Y_lm basis to follow the local coordinate ? And if the magnetic moment is (100) direction should it rotated from the global crystalline coordinate or from a coordinate which has the z-axis as (100) direction ? 
Maybe my trouble comes from something that I misunderstood. Could you please help me ? 
>From: wien-bounces at zeus.theochem.tuwien.ac.at[wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Peter Blaha >[pblaha at theochem.tuwien.ac.at]
>Sent: Monday, January 24, 2011 1:00 AM
>To: A Mailing list for WIEN2k users
>Subject: Re: [Wien] coordinate system
>
>It is in the "local" coordinate system.
>
>Check case.struct (or case.outputs).
>If the local rotation matrix is the unit matrix, it is in the global
>crystalline coordinate system. (For low symmetry cases, check the UG
>for the definition).
>
>-----------------------------------------
>Peter Blaha
>Inst. Materials Chemistry, TU Vienna
>Getreidemarkt 9, A-1060 Vienna, Austria
>Tel: +43-1-5880115671
>Fax: +43-1-5880115698
>email: pblaha at theochem.tuwien.ac.at
>-----------------------------------------
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