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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
***************************************************************
- anaddb atom masses, Erik Ylvisaker, 01/13/2006
- Re: [abinit-forum] anaddb atom masses, Cote Michel, 01/13/2006
- Re: [abinit-forum] anaddb atom masses, Erik Ylvisaker, 01/13/2006
- Re: [abinit-forum] anaddb atom masses, Pietro Delugas, 01/13/2006
- Re: [abinit-forum] anaddb atom masses, Erik Ylvisaker, 01/24/2006
- Re: [abinit-forum] anaddb atom masses, Cote Michel, 01/13/2006
- Re: [abinit-forum] anaddb atom masses, Pietro Delugas, 01/13/2006
- Re: [abinit-forum] anaddb atom masses, Erik Ylvisaker, 01/13/2006
- Re: [abinit-forum] anaddb atom masses, Cote Michel, 01/13/2006
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