[Pw_forum] bulk modulus

[Stefano Baroni]

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)

La morale est une logique de l'action comme la logique est une morale de la pensée - Jean Piaget

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