[Wien] How to flip the spins in instgen_lapw

[Lyudmila Dobysheva]

10.07.2012 02:29, Madhav Ghimire wrote:
> 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.

Look in the userguide how to use program arrows. After you replaced the 
forces in your case.scf file (yes, it's long you are to do this in the 
last iteration, in the very end), you can draw forces using the 
procedure described in userguide:
1. Prepare (copy) a struct and scf file using the names 
case_initial.struct and case_initial.scf.
2. View case_initial.struct in Xcrysden and “File/Save as xsf-structure” 
with the name case_initial.xsf.
3. Make "x arrows"
4. View the resulting case_forces.xsf using:
xcrysden --xsf case_forces.xsf
5. Switch on “Display/Forces” and adjust the length of the arrows in 
“Modify/Force-settings”.

I didn't do it myself, but do not see now reasons why it should not 
work. Maybe you'll try and do it and tell us if it works.

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