[Wien] Regarding to spin polarized and nonspin polarized calculation by WIEN2k

Hao Zhu danieldelist at yahoo.com
Wed Apr 27 19:56:58 CEST 2005


 
Hello, Everyone:

I have a question regarding to my both spin
polarized
and non-spin polarized calculation for the same
materials, let us say bcc Fe. We know Fe atom always
has moment. Does the non spin polarized calculation
by
WIEN2k here mean paramagnetic? 
My 2nd questions is, we know the spin polarized
calculation in WIEN2k is only applicable for
collinear
spin configuration, can we get out which direction
the
moment or spin of Fe atom points to after I finish
the
spin polarized calculation? or say, what's the easy
axis for bcc Fe obtained by this software?
Anybody can help me out? Thank you ahead.

btw: Thank you, Stefaan for your comments on
calculating curie temperature.
 
Hao Zhu


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