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
>
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
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 nic
Dear Prof. Steefan,
Now my structure is working fine. The absolute direction doesn't matter
to me but of course I am trying to view the picture of spins of the
selected atoms under various AFM configuration like neel, stripe and
zigzag. I mean if I can show the spin up as *? *and spin down as* *
Dear Prof. Steefan,
Thank you very much for your fruitful suggestions. Now I am able to
perform as per your suggestions. The idea of determining the spin direction
is excellent.
It means with Xcrysden, we cannot check the spin direction. Any idea about
other software which identifies the spin
> Now I am able to perform as per your suggestions. The idea of
> determining the spin direction is excellent. It means with Xcrysden,
> we cannot check the spin direction. Any idea about other software
> which identifies the spin direction.
This is not a 'problem' of xcrysden, it is a fundamenta
You have to do this manually. Split the Co-block into two blocks with
multiplicity 2, give them the label Co1 and Co2, increase the number of
inequivalent positions from 4 to 5 (top of case.struct), do 'x sgroup',
'cp case.struct_sgroup case.struct', and finally 'instgen_lapw -ask' to
give the
Dear all wien developers and users,
I intend to perform the AFM calculation for one of my selected system which
has single Co atoms in unit cell. For this, I generated a supercell with
(2x1x1) which generates 4 Co, 4 Sr and 8 oxygen atoms. With this structure
file, when I initiated the initializati
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