[Pw_forum] Fw : Help on ev.x procedures!!!

[Paolo Giannozzi]

Bertrand SITAMTZE wrote:

>  Please can somebody help in giving the four EOS use in this file?

most of what you need is here:
   http://en.wikipedia.org/wiki/Birch–Murnaghan_equation_of_state

> What is the unit of the fitting pressure in this file?

I think it is KBar

> Is it correct to have negative pressure?

for expanded systems (V > V_0), it is

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