thanks you sir
the definition for the compound a=b = 3.74 A alpha = beta = 90 gamma = 120
for AFM type I : i creat superstructure x super cell target lattice H : x
=1, y = 1 , Z =2 then x sgroup, program define automatecly the space group
the same of my original space group 156 without warrning
but when try to do it for type II : x super cell P : x =1, y = 1 , Z =1 x
sgroup could not define the space group
i dont know why ???
Le dimanche 26 janvier 2020 à 07:33:30 UTC+1, Gavin Abo
<gs...@crimson.ua.edu> a écrit :
Space group 156 is part of the hexagonal crystal family [1].
It seems that AFM type I, II, and/or III typically are only defined for body
centered cubic (bcc) and face centered cubic (fcc) lattices. That is based on
books such as "Magnetism and Magnetic Materials" by J. M. D. Coey (Figure 6.9
and 6.10) [2] and Quantum Theory of Magnetism by R. M. White (Fig. 4.2) [3]
defining AFM type I, II, and/or III for bcc and fcc lattices. The bcc and fcc
lattices are listed under the 14 Bravais Lattices in the table at [4].
The article titled "Ferromagnetic and antiferromagnetic spin fluctuations and
superconductivity in the hcp-phase of Fe" [5] defines AFM type II as having
opposite polarization on each layer perpendicular to the x-axis.
The article titled "Electronic origins of the magnetic phase transitions in
zinc-blende Mn chalcogenides" [6] defines AFM type II as a super-lattice of
period p = 1 and layer orientation G = (111).
Since there seems to be varying definitions for the AFM types, it is unknown
what your AFM type II and III are as you did not provide the definition for it
using words or images like in those books and articles.
[1] https://en.wikipedia.org/wiki/Hexagonal_crystal_family
[2] https://doi.org/10.1017/CBO9780511845000
[3] https://www.springer.com/gp/book/9783540651161
[4] https://en.wikipedia.org/wiki/Crystal_structure#Lattice_systems
[5] https://arxiv.org/abs/cond-mat/0112382v1
[6] https://doi.org/10.1103/PhysRevB.48.6111
On 1/25/2020 4:41 AM, djamel slamnia wrote:
dear wien2k user's
I got big problem to creat a structure for AFM type II or type III
Compound : H LATTICE,NONEQUIV.ATOMS: 5 156_P3m1 4 atoms ??
any solution ???
thanks in advance
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