The ABINIT Users Mailing List ( CLOSED )

["Josef Zwanziger" <jzwanzig@gmail.com>]

Hi there--

I have been playing with Yambo as well. It's not at this point clear
to me how I should choose among the various code options proferred on
the etsf web site. Any suggestions?

Joe

p.s. I guess the question would be a little easier to answer if you
knew what I am trying to calculate: linear optical properties of
insulators and semiconductors. I have re-invented the wheel (for about
the millionth time it feels like) to conclude that "optic" and also
the PAW variant through conducti in abinit give poor results because
of course they don't include all the physics of yambo and friends.

On Mon, Jan 5, 2009 at 11:55 AM, matthieu verstraete
<matthieu.jean.verstraete@gmail.com> wrote:
>
> Hello Joe,
>
> you may also want to consider using yambo (www.yambo-code.org) depending on
> what you are looking at. There are many nice features in yambo (of course
> not all features of exc are in yambo), although the public gpl version does
> not contain all of them.
>
> The interface to abinit is now through the ETSF-IO file format (needs netcdf
> etc compiled in abinit), but there is a fortran binary version as well (from
> a KSS GW-type file).
>
> Matthieu
>
> On Mon, Jan 5, 2009 at 3:20 PM, Fabien Bruneval <fabien.bruneval@cea.fr>
> wrote:
>>
>> Dear Josef,
>>
>> Francesco Sottile is the guy in charge.
>> His email address is
>> francesco.sottile@polytechnique.edu
>>
>>
>> Fabien
>>
>>
>>
>>
>> Josef Zwanziger wrote:
>>>
>>> Dear Colleagues,
>>>
>>> I apologize that this isn't quite the right forum for this question, but
>>> I'm
>>> not sure where else to start...I would like to use the EXC code (in
>>> combination
>>> with ABINIT) but the EXC web site has been broken for a while now (at
>>> least the
>>> down load pages and also gives pretty much no contact info. Does anyone
>>> know
>>> who to approach about getting the EXC code? thanks very much,
>>>
>>> Joe Zwanziger
>>>
>>
>
>
>
> --
> ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
> Dr. Matthieu Verstraete
>
> European Theoretical Spectroscopy Facility (ETSF)
> Dpto. Fisica de Materiales,
> U. del Pais Vasco,
> Centro Joxe Mari Korta, Av. de Tolosa, 72,   Phone: +34-943018393
> E-20018 Donostia-San Sebastian, Spain        Fax  : +34-943018390
>
> Mail : matthieu.jean.verstraete@gmail.com
> http://www-users.york.ac.uk/~mjv500
>



-- 
Josef W. Zwanziger
Professor of Chemistry
Canada Research Chair in NMR Studies of Materials
Director, Atlantic Region Magnetic Resonance Centre
Dalhousie University
Halifax, NS B3H 4J3 Canada
tel: +1 (902) 494-1960
fax: +1 (902) 494-1867
web: http://jwz.chem.dal.ca
jzwanzig@gmail.com, jzwanzig@dal.ca