[Pw_forum] relax with casino pseudopotential

[mohaddeseh abbasnejad]

I have attached the full input.
Is it neccessary to send you the pseudopotential file too.

Yours,
Mohaddeseh
On Thu, Apr 23, 2009 at 10:03 AM, mohaddeseh abbasnejad <
m.abbasnejad at gmail.com> wrote:

>
> I run the calculation for the Si.
> The input data were as follows:
>
> ibrav=  2, celldm(1) =10.57, nat=  2, ntyp= 1,
>
>     ecutwfc =18.0, nosym=.true.,
>  K_POINTS {automatic}
>
>  1 1 1  1  1  1
>
>  Yours,
> Mohaddeseh
>
>
>
> On Wed, Apr 22, 2009 at 10:49 PM, Stefano Baroni <baroni at sissa.it> wrote:
>
>> which system? with which input data? SB
>>
>>   On Apr 22, 2009, at 6:38 PM, mohaddeseh abbasnejad wrote:
>>
>>
>>  Dear all,
>>
>> Why does the stresses in the run with the converted CASINO
>> pseudopotential, using 1 1 1
>> k points, have the undiagonal elements?
>>
>> Thanks in advance.
>>
>> Yours,
>> Mohaddeseh
>>
>>
>>
>>
>>
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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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>
>
> --
>
>


-- 
---------------------------------------------------------

Mohaddeseh Abbasnejad,
Room No. 323, Department of Physics,
University of Tehran, North Karegar Ave.,
Tehran, P.O. Box: 14395-547- IRAN
Tel. No.: +98 21 6111 8634  & Fax No.: +98 21 8800 4781
Cellphone: +989177317514
E-Mail:     m.abbasnejad at gmail.com
Website:  http://physics.ut.ac.ir

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