[Pw_forum] relax with casino pseudopotential

[mohaddeseh abbasnejad]

Thank you for your attention.
How can I run the calculation with using a complete mesh of k points?

Sincerely yours,
Mohaddeseh

On Thu, Apr 23, 2009 at 10:20 AM, mohaddeseh abbasnejad <
m.abbasnejad at gmail.com> wrote:

> 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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>>>
>>>     ---
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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
>
> ---------------------------------------------------------
>
>


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

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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