Example mcphas.tst file for a simple antiferromagnet

Here is the file mcphas.tst for the simple antiferromagnet example describing some spin configurations to be used as starting values for the mean field process:

 
# Test spin configurations for meanfield calculation - module mcphas version 3.0
#<!--mcphase.mcphas.tst-->
#*********************************************************
# mcphas - program to calculate static magnetic properties
# reference: M. Rotter JMMM 272-276 (2004) 481
#**********************************************************
#! nofatoms=1
#!nofcomponents=3
# File Format: blocks of 3xnofatoms lines consisting of
# ma[1] ma[2] ma[3] .... ma[n]
# mb[1] mb[2] mb[3] .... mb[n]
# mc[1] mc[2] mc[3] .... mc[n]
#   a configuration moments along c
0
1
0

0
-1
0
# end of configuration
# new configuration
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
1 1 -1 1 1.1 -1 1 1 -1 1 1 -1.1 1 1 1 1
1 1 -1 1 1 -1 1 1 -1 1 1 -1 1 1.1 1 1.1
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
1 1 -1 1 1 -1 1 1 -1 1 1 -1 1 1 1 1.1
1 1 -1 1 1 -1 1 1 -1 1 1 -1 1 1 1 1
# end of configuration
Note, in case of non-orthogonal axes the convention is $mb\vert\vert\vec b$, $mc\vert\vert(\vec a \times \vec b)$ and $ma$ perpendicular to $mb$ and $mc$.



Martin Rotter 2017-01-10