[Wien] symmetry operation for antiferromagnetic calculations LaMnO3

Konstantin Nefedev knefedev at phys.dvgu.ru
Wed May 2 09:24:45 CEST 2007


Dear all,

I try to make the calculations for antiferromagnet LaMnO3.

x afminput  has found that the spacegroups is "KLASSENGLEICH"  and ask me
define and input the symmetry operation in format
(k,l,m). It will invert orientation of spins from "up" into "down".

I see in usersguide that for BCC NiO I it needs (0.5 0.5 0.5). I like loop (see
Sect. 9.3 .<=>  see sect. 4.5.4):

 but

If I wish construct A, C and G type of antiferromagnetic states of LaMnO3
how must this operator look for 62-Pnma? What are explicit forms
of operator for A, C and G-type?  Where can I find information?

Thank you.

Konstantin Nefedev.
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