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<DIV><FONT face=Arial size=2>Hello all,</FONT></DIV>
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<DIV><FONT face=Arial size=2>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.</FONT></DIV>
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<DIV><FONT face=Arial size=2>Thank You,</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Ben Eimer</FONT></DIV>
<DIV><FONT face=Arial size=2>New Mexico State University</FONT></DIV>
<DIV><FONT face=Arial size=2><A
href="mailto:beimer@nmsu.edu">beimer@nmsu.edu</A></FONT></DIV>
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