[Wien] Problem in AntiForroMagnetic calculation, please !!!
Benali Ben
kanoun_benali at yahoo.fr
Thu Dec 7 16:38:36 CET 2006
Dear Users:
I desired to make an example of AFM calculation.
Thus I used the example (Cr_af) in exemple of Wien2k.
I carried out all the steps:
- Flipped in inst..
When I carry out X afminput,
I give : case.struct_supergroup present
The super and subgroups are KLASSENGLEICH
You must specify a translation vector which transforms the
spin-up into the spin-dn atom (e.g.: 0.5,0.5,0.5 for AFM bcc Cr)!
after :
I found anything in the file outputafminput and inclmcopy_st
thank you for helping me.
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