The ABINIT Users Mailing List ( CLOSED )

[Masayoshi Mikami <mmikami@rc.m-kagaku.co.jp>]

Dear Xiao Deng,

This is not directly related to ABINIT... but here is a tip:
google "Murnaghan" (or "Birch-Murnaghan")

You will find, for example,
http://en.wikipedia.org/wiki/Birch-Murnaghan_equation_of_state

If you have the ABINIT src.tar.gz, you might want to try:
        grep -ir Murnaghan .
at ~ABINIT. The tutorial (PAW) refers to the equation.
http://www.abinit.org/Infos_v4.6/Tutorial/lesson_paw2.html

Good luck,
Masayoshi

On 2006/10/30, at 12:02, Xiao Deng wrote:

> Dear Abinit user,
>
>        I've calculated the total eneries of different types of  
> acells. How can I directly obtain the balanced lattice constant  
> through fitting the E(V) state equation ? Can you give me the E(V)  
> state equation or recommend a paper? Thanks!
>
> Xiao Deng