[Wien] How to flip the spins in instgen_lapw

[Madhav Ghimire]

Dear Lyudmila,
   Thanks for your kind response. To flip the spin of an atom, we edit in
case.inst or else perform instgen_lapw. In the case.inst file, I do not
found any forces. And also, the forces are observed in case.scf (after
save_lapw) which is an scf files not input. But,you mentioned that it may
be possible to take the input file containing forces (scf), and replace
forces. Anyhow, I replaced the forces from this scf files as suggested and
tried to arrange them. But could not make use of xcrysden to view the
structure with arrows.
By the way, after save_lapw, the saved file use to be very large containing
the details of calculations. In that regard, will the replacement of forces
only can solve the problem.
Kindly help me to sort out this problem.
Thank you
M. P. Ghimire


On Mon, Jul 9, 2012 at 4:51 PM, Lyudmila Dobysheva <lyuka17 at mail.ru> wrote:

> 07.07.2012 06:26, Madhav Ghimire wrote:
>
>> I am trying to view the picture of spins of
>> the selected atoms under various AFM configuration like neel, stripe and
>> zigzag.
>>
>
> Dear M. P. Ghimire,
>
> Recently I looked at a result of arrows program which allows to visualize
> forces acting at atoms with nice arrows. Maybe it is possible to take the
> input file containing forces (scf), and replace forces - arrange them in
> such a way that they correspond to your desired magnetic structure. Then
> program arrows prepares input for x-crysden and xcrysden draws:
> xcrysden --xsf case_forces.xsf
>
> Best regards
>   Lyudmila Dobysheva
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-- 
M. P. Ghimire
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