[Pw_forum] bulk modulus

[bhabya sahoo]

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
>
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> 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)
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> pensée - Jean Piaget
>
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