Thanks Pr Laurence for the procedure
and I am the one in Algeria which encouraged the use of wien2k code at a
wide level and I hope inviting all the authors off the code in Algeria.
I am woring on and you can check my site and our facebook group
https://wien2k-algerien1970.blogspot.com
Here is a procedure:
1) Work out how to create a structure appropriately ordered the way you
want along the appropriate direction.
2) Check the structure using a visualization code, and also check the
magnetism is what you want.
3) Label in the case.struct file the atoms, for instance as Ni1 and
2 matches
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