[Pw_forum] Question on bulk modulus

[Paolo Giannozzi]

On Fri, 2013-03-01 at 06:37 -0800, Chukwuemeka Okoye wrote:

> I noticed that when ev.x is used to calculate structural parameters,
> different equations of state give very different values of the bulk
> modulus. For instance, the Murnaghan, Keane and Birch values are never
> close. Should this be the case?

Results from Murnaghan and Birch equations of state ARE close.
Only the (little-used) Keane equation of state yields rather 
different results.

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy