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Re: [abinit-forum] anaddb atom masses


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  • From: "Cote Michel" <michel.cote@umontreal.ca>
  • To: <forum@abinit.org>
  • Subject: Re: [abinit-forum] anaddb atom masses
  • Date: Thu, 12 Jan 2006 21:18:14 -0500

Hello Erik,

I remember doing something like that, but we had to recompile anaddb each
time we changed the masses.

Michel


Le 12/01/06 18:22, « Erik Ylvisaker » <eylvisaker@physics.ucdavis.edu> a
écrit :

> For the calculation of phonon frequencies, I assume anaddb uses the same
> masses as abinit for the calculation of phonon frequencies. Is there an
> easy
> way to change the values anaddb uses to look at isotope effects without
> recomputing the time-consuming response function calculation? There doesn't
> appear to be an input variable in anaddb like the "amu" variable for abinis.
>


--
***************************************************************
Michel Cote tel: +1 (514) 343-5628
Professeur agrégé fax: +1 (514) 343-2071
Département de physique
Université de Montréal
C.P. 6128, succ. Centre-ville
Montréal (Québec) H3C 3J7 Michel.Cote@umontreal.ca
Canada www.phys.umontreal.ca/~michel_cote
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