Again, seeing the Housler alloy is not enough, what are the magnetic atoms? I
all are magnetic then it is a ferrimagnetic system, if only X is magnetic then
you have a simple (primitive) cubic cell.
My initial criticism was that there is not enough information in the initial
question!
The Li crystal has no bonds because the atoms are quite far, while in Fe the
bonds are much stronger and the distances are quite close. In graphite the
inlayer bonds are quite short, while between layers it is quite large, too
large.
De:
Dear Sir Luis
Thanks for your kind reply.
with regards
sikander
On Friday, May 30, 2014 3:41 PM, Luis Ogando lcoda...@gmail.com wrote:
Hi Sikander,
Try to accept the case.struct suggested by sgroup and see what happens.
Other option is to use x patchsymm and use the case.struct
Everything is well described in literature, check for example the
landolt-börnstein chapters about the Heusler compounds
There you will find all possible different AFM setups.
Ciao
Gerhard
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
I think the problem, to be quite honest with
Dear Developers and users,
I am working on a monoclinic structure with space group C2/m (12),
although this space group is not supported in the structgen on w2web
interface I managed to convert it properly by hand and started the
initialization though in the 18th phase of the initialization I
That can happen if you did not run x lstart or there can be an earlier
problem (typically, from an improper case.inst or case.struct) such that
the running of x lstart is unsuccessful
[http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07603.html].
On 6/1/2014 6:54 PM, Farshad
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