[Pw_forum] bulk modulus unit

[Eyvaz Isaev]

Hi,

2 small comments:

a) ev.x, but not eos.x in pwtools. Though, something may be has changed.
b) B' (or K') is dimensionless by its definition.

Bests,
Eyvaz.


-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden 
Condensed Matter Theory Group, Uppsala University, Sweden 
Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com


--- On Sat, 4/11/09, Lorenzo Paulatto <paulatto at sissa.it> wrote:

> From: Lorenzo Paulatto <paulatto at sissa.it>
> Subject: Re: [Pw_forum] bulk modulus unit
> To: "PWSCF Forum" <pw_forum at pwscf.org>
> Date: Saturday, April 11, 2009, 2:07 PM
> 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.
> 
> regards
> 
> 
> -- 
> Lorenzo Paulatto
> SISSA  &  DEMOCRITOS (Trieste)
> phone: +39 040 3787 511
> skype: paulatz
> www:   http://people.sissa.it/~paulatto/
> 
> 
> 
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