[Wien] A simple question

[Benjamin C. Eimer]

Hello all,

I have a question that I have not been able to answer on my own.  I am wishing to run the SCF on a system where the magnetic moment of a given atom is fixed.  I have seen where the moment of the unit cell can be fixed, is it possible to fix it for just one atom.  Second I am also trying to fix the occupation number for given orbitals in the system but have been unsuccessful to the present.  Could anyone please give me some hints as to how to do this or if it is even possible with Wien2k?  Any help at all would be greatly appreciated.

Thank You,

Ben Eimer
New Mexico State University
beimer at nmsu.edu
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