[Pw_forum] bulk modulus unit

程迎春 yccheng.nju at gmail.com
Sat Apr 11 10:41:58 CEST 2009


Maybe 14722 GPa/(Ry/au.^3). You can translate Ry and au to J and meter
yourself.

2009/4/11 Mansoureh Pashangpour <mansourehp at gmail.com>

> Dear all
> I"m calculating bulk modulus for a system with PWscf. As you know Etot unit
> is Ry and V unit is a,u.^3.
> how can I find (K0 and K'0) bulk modulus in Gpa unit.
> Thanks
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>


-- 
Y. C. Cheng
Department of Physics
Nanjing University
Nanjing 210093
P. R. China
Tel: 86-25-83592907
Email: yccheng.nju at gmail.com
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090411/0a1cc546/attachment.html>


More information about the users mailing list