[Pw_forum] etot_conv_thr and forc_conv_thr unit

toufik esssakhri tousak at hotmail.fr
Wed Jun 25 16:45:31 CEST 2014


i am sorry i was confused with stress

> Date: Wed, 25 Jun 2014 15:33:16 +0200
> From: lorenzo.paulatto at impmc.upmc.fr
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] etot_conv_thr and forc_conv_thr unit
> 
> 
> On 06/25/2014 03:10 PM, toufik esssakhri wrote:
> 
> > a.u for the forc_conv_thr means Ry/bohr**3 and for etot_conv_thr is Ry??
> 
> Ry/bohr, not Ry/bohr^3: it's a force.
> 
> >
> > i want just to check is this true or not.
> >
> 
> it is
> 
> -- 
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> +33 (0)1 44 275 084 / skype: paulatz
> http://www.impmc.upmc.fr/~paulatto/
> 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
> 
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