[Pw_forum] a question about magnetization

[mohsen modaresi]

Dear users
Excuse me for 'Ih has dont want any things whic conflict with nature'
It Means ' I dont want any thing Which has conflict with nature'
It is for my keybopard.

Mohsen Modaresi

On Mon, Nov 30, 2009 at 10:42 AM, mohsen modaresi <modaresi.mohsen at gmail.com
> wrote:

> Dear Stefano
> Thanks
> Ih has dont want any things whic conflict with nature, I want to calculate
> GMR (in the situation with out any magnetic field there is an exchange
> coupling which leads to different magnetization, But this kind of exchange
> coupling do'nt colculated in Q.E so it must be intered artifically)
> Thanks for your answers
>
> Mohsen Modarersi
>
>
>
>
>
>
> On Mon, Nov 30, 2009 at 10:32 AM, Stefano Baroni <baroni at sissa.it> wrote:
>
>> If what you want is different from what Mother Nature wants (or, rather
>> from the caricature of Mother Nature's willings given by DFT/GGA/etc.) the
>> only way is to use magnetic constraints. They used to be implemented. Don't
>> know what the current situation of the implemenattion is. You can try
>> without constraints to start with ... SB
>>
>> On Nov 30, 2009, at 7:32 AM, mohsen modaresi wrote:
>>
>> Dear Paolo
>> Thanks for your answer
>> But I want a situation which atoms have different magnetization at the
>> final,
>> is there any suggestion?
>> Thanks
>>
>> Mohsen Modaresi
>>
>> On Sun, Nov 29, 2009 at 1:19 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:
>>
>>>
>>> On Nov 29, 2009, at 9:39 , mohsen modaresi wrote:
>>>
>>> > 1) A and B have parallel magnetization direction
>>> > 2) A and C have anti parallel magnetization direction
>>> > could i inter this deference in calculation
>>>
>>> with an appropriate usage of "starting_magnetization"
>>> you should be able to select between a final state of
>>> type 1) or 2). Energy differences may turn out to be
>>> VERY small, though
>>>
>>> Paolo
>>> ---
>>> Paolo Giannozzi, Dept of Physics, University of Udine
>>> via delle Scienze 208, 33100 Udine, Italy
>>> Phone +39-0432-558216, fax +39-0432-558222
>>>
>>>
>>>
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>>
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>>
>>    ---
>> Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -
>> Trieste
>> http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) /
>> stefanobaroni (skype)
>>
>> La morale est une logique de l'action comme la logique est une morale de
>> la pensée - Jean Piaget
>>
>> Please, if possible, don't  send me MS Word or PowerPoint attachments
>> Why? See:  http://www.gnu.org/philosophy/no-word-attachments.html
>>
>>
>>
>>
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