[Pw_forum] bulk modulus unit

Lorenzo Paulatto paulatto at sissa.it
Sat Apr 11 12:07:42 CEST 2009

On Sab, Aprile 11, 2009 10:04, Mansoureh Pashangpour wrote:
>  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

in the pwtools directory there is a small utility calle eos.x to fit
volume/energy curves. It prints the bulk modulus directly in GPa.


Lorenzo Paulatto
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/

  SISSA Webmail https://webmail.sissa.it/
  Powered by SquirrelMail http://www.squirrelmail.org/

More information about the users mailing list