[Wien] case.inso, magnetization direction in which coordinate system?

2012-05-25 Thread Peter Blaha 
conventional lattice vectors.

Only for R lattices, see the notes in the UG.

Am 24.05.2012 16:26, schrieb Tom Berlijn:
 Dear All,

 I am running a spin-orbit calculation in WIEN2k version 10.1 for systems with 
 2 different lattices types, namely CXZ and P.
 My question is, in case.inso, in which coordinate system is the 
 magnetization direction expressed?

 - conventional lattice vectors
 - conventional reciprocal lattice vectors
 - primitive reciprocal lattice vectors
 - primitive lattice vectors

 Thanks, Tom
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

   P.Blaha
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/
--

[Wien] case.inso, magnetization direction in which coordinate system?

2012-05-24 Thread Tom Berlijn 
Dear All,

I am running a spin-orbit calculation in WIEN2k version 10.1 for systems 
with 2 different lattices types, namely CXZ and P.
My question is, in case.inso, in which coordinate system is the 
magnetization direction expressed?

- conventional lattice vectors
- conventional reciprocal lattice vectors
- primitive reciprocal lattice vectors
- primitive lattice vectors

Thanks, Tom