Your post is too large, but I'll answer here:
Your struct and in1 file for TiC is ok.
I'm not quite sure, why you have at the beginning the *broyd* present
message ?? These files are produced by mixer. Did you run this before,
with the same error or did it go through ?
You had a save_lapw
Technically, you seem to do everything correct.
When you split the 4 Fe into 2 sets, you break cubic symmetry. You also
see it from the resulting Sg #74.
Therefore there will be a relaxation ... (even without relaxation, you
already broke cubic symmetry).
Your approximation of an AFM
Hi Pablo,
You repeat about the structure what I already told (maybe too short), if you
check the intenational tables of crystallography you will find that there are
two set-ups of the origin possible (0,0,0) or (1/8,1/8,1/8) in space group 227.
Therfore, it is not unique if you give only the
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