[Pw_forum] elastic constant calculations

[xirainbow]

Dear Pikee:
I think volume change -5~5% or -10~10% can give reasonable result.

On Sun, Jan 16, 2011 at 3:55 AM, pikee priya <pikeepriya at gmail.com> wrote:

> Hi ,
>
> Can you help me with the strain range to be considered for fitting in
> polynomial curves for finding the bulk modulus and elastic constans(c11, c12
> and c44) for cubic metals.
>
> Regards,
> Pikee.
> IISc, Bangalore.
>
>
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-- 
____________________________________
Hui Wang
School of physics, Fudan University, Shanghai, China
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