[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
>
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--
Y. C. Cheng
Department of Physics
Nanjing University
Nanjing 210093
P. R. China
Tel: 86-25-83592907
Email: yccheng.nju at gmail.com
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