[Wien] Antiferro calculation !!

[reza osaty]

Dear wien2k users ;

 I want to run antiferro calculation on Gd .Because someone reported the
ground state of Gd is antiferro. After Running antiferro calculation i
attain this results :

 *EnE: -45111*
* Mtot/atom : 0.735*

 But after S.P calculation i found :

 *EnE: -40956*
* Mtot /atom : 7.5*

 The case.inst is in attachment . I think for Gd we can't change the
orientation of 4f-electron because it need to high energy so i flip only
valence electron but yet  Mtot/atom  is very smaller than experimental
result !!!

 Am I right ? Please guide me !

Regard ,
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Gd 1       
Xe 4 5
4, 3,3.0  N
4, 3,0.0  N
4,-4,4.0  N
4,-4,0.0  N
5, 2,1.0  N
5, 2,0.0  N
6,-1,1.0  N
6,-1,1.0  N
Gd 2       
Xe 4 5
4, 3,3.0  N
4, 3,0.0  N
4,-4,4.0  N
4,-4,0.0  N
5, 2,1.0  P
5, 2,0.0  P
6,-1,1.0  N
6,-1,1.0  N
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