[Wien] How to generate P-V EOS curve

[susanta mohanta]

Just see the definition of Bulk modulus. B=-Vdp/dv. From this one can easily
estimate P-V relation. WIEN2k doesn,t plot P-V equation of state, but it
estimates the bulk modulus and equilibrium volume.

2009/8/6 John Appleton <banger_deep at yahoo.com>

> Dear WIEN users,
>
> I know that the E-V curve can be computed with WIEN2k to obtain the
> equlibrium volume
> V0 and ground state total energy. When V0 is achieved, the pressure P = 0.
> I would like to know how to use WIEN2k to generate Pressure-volume (P-V)
> curves for
> different crystalline phases of a material and estimate the phase
> transition pressures.
> Any past article references which involve the use of WIEN2k to compute the
> P-V
> equation of state would be appreciated.
>
> Thank you!
>
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