[Wien] bandstructure error( with spin-orbit interaction )

undo99 at qq.com
Fri Mar 30 12:00:43 CEST 2012


Without spin-orbit interaction, the bandstructure is good. 
 Include spin-orbit interaction, the bandstructure looks wrong.
  
 in file "case.spaghetti_ene"(include spin-orbit interaction)
 :
 ... ...
 -47.83932
 -47.83932
-47.83932
-129.97118
-77.31850
-47.83931
-47.83926
-47.83928
 ... ...
 ... ...
 1.02661
1.02668
1.02699
-0.07971
-0.07959
-0.07944
-0.07923
-0.07909
-0.07869
... ...
  
 ene: "-129.97118, -77.31850" and "1.02699, -0.07971" seems wrong.
  
  
  
  in file "case.spaghetti_ene"(without spin-orbit interaction), seems right.

 ... ...
 -48.28478
-48.28478
-48.28478
-48.28474
-48.28474
-48.28474
-48.28474
-48.28474
-48.28474
-48.28474
-48.28474
-48.28474
-48.28474
-48.28474
-48.28474
 ... ...
  
   why?
  

 THANKS !
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