[Pw_forum] calculation for antiferromagnetic MnO

[mohnish pandey]

Thank you so much Prof. Matteo, in fact I also wanted to do that myself but
I was not able to get the starting point but know I believe I can do that...

On Fri, Jul 30, 2010 at 1:59 PM, Matteo Cococcioni <matteo at umn.edu> wrote:

> Dear Mohnish
>
> I would recommend you to figure this out yourself first.
> Then, if you want to verify your results you can go on
> quantum-espresso.org and look for the tutorials
> for the school held in Santa Barbara in 2009. you will find an example
> about NiO (and maybe FeO, I don't remember)
> that are materials with the same structure and AF order of MnO.
>
> Matteo
>
>
> On Fri, Jul 30, 2010 at 1:59 AM, mohnish pandey <mohnish.iitk at gmail.com>wrote:
>
>> Dear users,
>>                   I want to do calculation for MnO antiferromagnetic
>> system. I want to know how to start the calculation for this
>> antiferromagnetic system, i.e. should the magnetization be conserved to be
>> in antiferromagnetic state? And how to build the cell for this rocksalt
>> structure so that structure is antiferromagnetic.
>>
>> --
>> Regards,
>> MOHNISH,
>> -----------------------------------------------------------------
>> Mohnish Pandey
>> Y6927262,5th Year dual degree student,
>> Department of Chemical Engineering,
>> IIT KANPUR, UP, INDIA
>> +919235721300
>> -----------------------------------------------------------------
>>
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>
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-- 
Regards,
MOHNISH,
-----------------------------------------------------------------
Mohnish Pandey
Y6927262,5th Year dual degree student,
Department of Chemical Engineering,
IIT KANPUR, UP, INDIA
+919235721300
-----------------------------------------------------------------
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