[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-------------------
WFFIL
4 0 0
-10.0000 1.5000
0 0 1
2
1 -3.5
2 -4.5
4 number of atoms without SO, atomnubers
----------------bottom of file-----------------------------------
Thank you so much
best regards
F.X.Zu
http://goto.sohu.com/goto.php3?code=libo-gz096mailzhujiao 球迷:英超正版球衣免费等你拿!
More information about the Wien
mailing list