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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 for WIEN2k users
Asunto: [Wien] Type II AFM MnO
Dear WIEN2K Users,
Does Wien2K write the lattice vectors out
for WIEN2k users
Asunto: [Wien] Type II AFM MnO
Dear WIEN2K Users,
Does Wien2K write the lattice vectors out to a file somewhere?
I am trying to calculate the AFM II rock-salt structure of MnO. However,
as MnO has several AFM configurations possible, I would like to be able to
check which one of
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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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
Dear WIEN2K Users,
Does Wien2K write the lattice vectors out to a file somewhere?
I am trying to calculate the AFM II rock-salt structure of MnO. However,
as MnO has several AFM configurations possible, I would like to be able to
check which one of the attached structure files corresponds to
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