[Wien] How to generate P-V EOS curve

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 o

[Wien] How to generate P-V EOS curve

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 > Dear WIEN users, > > I know that the E-V curve can be computed with WI

[Wien] How to generate P-V EOS curve

> 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. And it write the corresponding pressure in case.outputeos --