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It corresponds to a non-collinear magnetic situation. <br>
You should use WIENNCM if you want to properly describe this
magnetic arrangement. <br>
However, in a first step did you simply tried to calculate the
energy of the AFM structure without taking into account the
orientation in space of the atomic magnetic moments? <br>
It will give you a first idea (in a collinear way). <br>
<br>
Regards<br>
<br>
Xavier<br>
<br>
<br>
<br>
<br>
On 02/22/2012 01:17 AM, εΝεΟ ΗΡΤΟ αΡΝΗζ wrote:
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Dear wien users<br>
<br>
hi,<br>
<br>
i'm trying to simulate different models of AFM configurations of
a material.<br>
<br>
in these models, although any single atom has only one finite
component of magnetic moment (other 2 being zero), different
atoms in the unit cell have different components. <br>
<br>
for example, one type of atom has y-component and in the same
unit cell , another type of atom has only X-component of
magnetic moment.<br>
<br>
can anyone tell me how to define the direction of magnetic
moment & it's value in that direction.<br>
<br>
i don't know if it would fall in collinear catagory or is it a
non-collinear case ! <br>
<br>
please guide me.<br>
<br>
Regards,<br>
<br>
M. Arshad Farhan<br>
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