Thanks for the suggestion. No I did not change the atom to Fe.
As you point out, AFM II shows AFM ordering along FCC (111) planes.
However, it is hard to see what the ordering in each structure is because
the lattice vectors are not cubic. A simple way to see the ordering is to
take the two s
Have you changed Mn2 by Fe? so you would see different color for Mn1 and Mn2,
is this what you are asking?
De: wien-boun...@zeus.theochem.tuwien.ac.at
en nombre de Manish Jain
Enviado: miércoles, 4 de noviembre de 2015 11:33 p. m.
Para: A Mailing list
a. m.
Para: A Mailing list for WIEN2k users
Asunto: Re: [Wien] Type II AFM MnO
Why is AFM type II of an fcc system geometrically frustrated ?
I guess you have something else in mind, because the type II AFM is clearly
defined, isn't it.
Ciao
Gerhard
DEEP THOUGHT in D. Adams; Hitchhikers Gui
s
01187 Dresden
Von: wien-boun...@zeus.theochem.tuwien.ac.at
[wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von delamora
[delam...@unam.mx]
Gesendet: Donnerstag, 5. November 2015 15:43
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] Type II AFM MnO
Just a comment;
The str
Asunto: Re: [Wien] Type II AFM MnO
Thank you Elias and Dr. Tran for the prompt replies and the help!
Regards,
Manish
On Thu, 5 Nov 2015, t...@theochem.tuwien.ac.at wrote:
> Hi,
>
> This is MnO.struct which corresponds to AFM II.
> In xcrysden you can increase the number of units sh
Thank you Elias and Dr. Tran for the prompt replies and the help!
Regards,
Manish
On Thu, 5 Nov 2015, t...@theochem.tuwien.ac.at wrote:
Hi,
This is MnO.struct which corresponds to AFM II.
In xcrysden you can increase the number of units shown
on the screen with Shift-n.
Xcrysden can also wr
Hi,
This is MnO.struct which corresponds to AFM II.
In xcrysden you can increase the number of units shown
on the screen with Shift-n.
Xcrysden can also write the lattice vectors (in file .xsf with
"Save XSF Structure").
F. Tran
On Thu, 5 Nov 2015, Manish Jain wrote:
Dear WIEN2K Users,
Doe
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Hash: SHA1
On 11/05/2015 06:33 AM, Manish Jain wrote:
> Does Wien2K write the lattice vectors out to a file somewhere?
At the top of ‘case.outputkgen’
ortho= T
R1 = 14.758733 0.00 0.00
R2 = 0.00 14.758733 0.00
R3 = 0.00 0.00
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