[Pw_forum] bulk modulus

[Mohsen Modaresi]

ِDear Bhabya Sahoo,
we did such a calculations in the case of Garphene and h-Boron-Nitride, but
the manuscript does not publish until know. After the publication we are
pleased to inform you and send a copy of the manuscript and our input files.


On Tue, Aug 23, 2011 at 11:39 PM, bhabya sahoo <bdslipun at gmail.com> wrote:

> i want this by quasi harmonic approximation
>
> On Tue, Aug 23, 2011 at 12:07 PM, Stefano Baroni <baroni at sissa.it> wrote:
>
>> using the quasi-harmonic approximation, or constant-pressure ab-initio
>> molecular dynamics (*) - SB
>>
>> (*) if you want a more articulated answer, may I expect a more articulated
>> and well-thought question?
>>
>> On Aug 23, 2011, at 1:46 PM, bhabya sahoo wrote:
>>
>>
>> how can one calculate bulk modulus and elastic constants with tempertaure
>> by quantum espresso code
>>
>>
>>
>>
>>
>>
>>
>> b d sahoo   reserch scholar
>>
>>  barc mumbai
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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
>>
>>
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>>
>
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-- 
Mohsen Modarresi,
PhD student of Solid State Physics, Ferdowsi University of Mashhad, Iran.
Phone +98-9133452131
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