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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