This is a typical numerical annoyance -- the enthalpy curves of both
phases are shallowly intersecting. And plotting the difference as a
function of pressure is tricky because you don't have the same pressure
grid for both phases.
However, as you have all parameters of the (Birch-)Murnaghan
On Thu, Mar 13, 2014 at 09:43:02PM -0700, MAHDI SALMANI HIRMAND wrote:
Dear Prof. Blaha,
I am studying possible pressure-induced transition for some compounds.
stefaan guide me how i can calculate Gibbs energy and find the pressure.
He told me you can easily calculated the enthalpy H=E+PV
On Fri, Mar 14, 2014 at 09:29:27AM +0100, Stefaan Cottenier wrote:
This is a typical numerical annoyance -- the enthalpy curves of both
phases are shallowly intersecting. And plotting the difference as a
function of pressure is tricky because you don't have the same pressure
grid for
Dear Prof. Blaha,
I am studying possible pressure-induced transition for some compounds.
stefaan guide me how i can calculate Gibbs energy and find the pressure.
He told me you can easily calculated the enthalpy H=E+PV using case.eosfit and
case.eosfitb. Repeat for the second phase, and see at
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