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- From: "Pietro Delugas" <delugas@dsf.unica.it>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] anaddb atom masses
- Date: Fri, 13 Jan 2006 09:27:53 +0100 (CET)
- Importance: Normal
atomic massess are also given in the DDB files anaddb processes,
wouldn't be enough just to change them there ?
greetings
pietro
> 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
>> ***************************************************************
>>
>>
>>
>>
>>
>
>
- 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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