[Wien] spin-orbit coupling!!

zufengxia at sohu.com zufengxia at sohu.com
Tue Sep 2 02:40:42 CEST 2003

Dear Wien users,
   I am calculating an ferromagnetic system with spin-orbit coupling, the magnetic moments of the cell attribute to the heavy element, however I am not sure the direction of the magnetic moments about the material. It seems that I learned that the default direction of magnetic moment in Wien2k is along 001,How can I set the magnetic moments direction , in addition,  how to edit the line 7 in case.inso file if I have 4 atoms (atomnumbers are 3,4,5,6,respectivly)for which SO will be switched off . Would you please give me some suggestions?  
This is my case.inso:
----------------top of file: case.inso-------------------
 4  0  0              
 -10.0000  1.5000
     0 0 1
1     -3.5
2     -4.5
4                          number of atoms without SO, atomnubers
----------------bottom of file-----------------------------------

 Thank you so much

 best regards


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