The ABINIT Users Mailing List ( CLOSED )

["Cote Michel" <michel.cote@umontreal.ca>]

Unfortunately no. But Pietro might be right and you might be able to edit
the DDB file. You should try this option first.

Michel


Le 12/01/06 22:58, « Erik Ylvisaker » <eylvisaker@physics.ucdavis.edu> a
écrit :

> Michel,
> 
> That would be fine.  Do you remember which source file(s) you had to edit?
> 
> ~Erik
> 
> ----- Original Message -----
> From: "Cote Michel" <michel.cote@umontreal.ca>
> To: <forum@abinit.org>
> Sent: Thursday, January 12, 2006 6:18 PM
> Subject: Re: [abinit-forum] anaddb atom masses
> 
> 
>> > 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
>> > ***************************************************************
>> >
>> >
>> >
>> >
>> > 
> 
> 


-- 
***************************************************************
  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
***************************************************************