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- From: ghada ameereh <ghaddosh@yahoo.com>
- To: mailing list for abinit <forum@abinit.org>
- Subject: magnetization
- Date: Mon, 29 Jan 2007 22:35:09 -0800 (PST)
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Dear abinitors:
i attend to calculate the gap energy and DOS for FeSi
(with 8 atoms) in non magnetic state and in magnetic
state:
1)for non magnetic state :must i use the spinatom and
nsppol variables or not .
2)for magnetis state shall i use (spinatom and
nsppol=2 )variables while i make optimization , or i
can make optimization without spin polarization then
take the results and use them in DOS input file to
obtain the magnetization .
these points are confuse me.
thanks
ghada
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- magnetization, ghada ameereh, 01/30/2007
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