[Fsatom-comm] FSAtom
Karsten W. Jacobsen
fsatom-comm@www.tddft.org
Tue, 4 Feb 2003 17:39:29 +0100
On Tuesday 28 January 2003 19:56, Xavier Gonze wrote:
Dear Xavier (and other committee members),
>
> My requests for suggestions are related to some related
> tasks to be done :
>
> (1) I have appended below the current list of person registered
> on the mailing list.
> In the case you know somebody that should obviously belong to that list,
> but is not there, could you either contact him (so that
> he can register - start from http://www.fsatom.org),
> or send his e-mail address to Miguel or me ?
I have contacted some people at Chalmers that I hope will register.
>
> (2) After about 10 days, I plan to send the tutorial and workshop
> announcements to the mailing list. Any suggestion ?
>
> (3) We planned to have workgroups on selected topics. Obviously,
> the mailing lists and Web sites were a prerequisite for real work.
> *** So, are there suggestions for the procedure to start working groups ?
> *** *** Who might have time in the forthcoming weeks/months to start one ?
> *** (this last question might be sent to the whole miling list)
> Actually, at the end of the CECAM workshop, we asked for volunteers,
> and put names. We might stick to these propositions, but it might
> as well be worth to reevaluate the propositions, 7 months after the
> meeting ...
>
> (4) By the way, CECAM workshop discussions, or recent discussions with
> several people, including some of you,
> point to the fact that a standard format for pseudopotentials would
> be invaluable to the community. It might be a strong point of the
> forthcoming workshop : a common proposal from a workgroup
> on this topics, or a session on this topics. So, the set-up of a
> workgroup on this topics might be prioritary ...
Together with Lars Hansen and Asbjørn Christensen I shall be happy to try to
get the pseudopotential group up and running. In the coming days we plan to:
1) Begin to organize the wiki for the pseudopotential group. We will put up
different sections (pseudopotential example files, PP generators, XML
resources, ...) and upload the stuff we have.
2) We have to figure out if we also need a special pseudopotential mailing
list or if everything can be done using the wiki?
3) Invite people to join the wiki/mailing list.
4) A starting point for a discussion could be the suggestion from Paolo
Giannozzi of an "xml-like" format. Asbjørn will look into possibilities of
making the format real XML and furthermore generalizing the format to cover
pseudopotentials more broadly and perhaps also PAW.
How does this sound?
Best regards,
Karsten.
>
> Thanks in advance for your advices (please, within 10 days)
> Best regards,
> Xavier
>
> ------------------------------------------------------------------------
>
> Present content of the mailing list :
>
> * alaio at cscs.ch
> * alberto.castro at tddft.org
> * alfredo.pasquarello at epfl.ch
> * ari.p.seitsonen at iki.fi
> * asbjorn at fysik.dtu.dk
> * baroni at sissa.it
> * bashtovyy at gmx.net
> * carlos at www.demat.ist.utl.pt
> * caty_chung at yahoo.com
> * ceperley at uiuc.edu
> * daudey at irsamc1.ups-tlse.fr
> * david.bowler at ucl.ac.uk
> * deejoe at iastate.edu
> * degironcoli at sissa.it
> * dhv at physics.rutgers.edu
> * emilio at esc.cam.ac.uk
> * fahy at ucc.ie
> * filippi at lorentz.leidenuniv.nl
> * galli at llnl.gov
> * gamercier at yahoo.com
> * giannozz at nest.sns.it
> * gilles.zerah at cea.fr
> * gonze at pcpm.ucl.ac.be
> * graeme at u.washington.edu
> * greve at gnu.org
> * hammer at phys.au.dk
> * hinsen at cnrs-orleans.fr
> * hutchisn at chem.northwestern.edu
> * hutter at oci.unizh.ch
> * hutter at zi.unizh.ch
> * j.a.purton at dl.ac.uk
> * javier.junquera at ulg.ac.be
> * jdg9 at cornell.edu
> * jensj at fysik.dtu.dk
> * jiniguez at physics.rutgers.edu
> * jkalin at icm.edu.pl
> * jonsson at chem.washigton.edu
> * jose.l.martins at inesc.pt
> * k.e.wise at larc.nasa.gov
> * kale at cs.uiuc.edu
> * klein at lrsm.upenn.edu
> * krack at cscs.ch
> * kunc at ccr.jussieu.fr
> * kwj at fysik.dtu.dk
> * laurent.maron at irsmac.ups-tlse.fr
> * ledm at novozymes.com
> * lhansen at fysik.dtu.dk
> * lucia.reining at polytechnique.fr
> * luis.gracia at mssm.edu
> * m.finnis at qub.ac.uk
> * mark.tuckerman at nyu.edu
> * mark.vanschilfgaarde at asu.edu
> * marques at teor.fis.uc.pt
> * martyna at us.ibm.com
> * mauri at lmcp.jussieu.fr
> * mmaresch at cecam.fr
> * natalie at wfu.edu
> * ordejon at condmat01.geol.uniovi.es
> * ordejon at icmab.es
> * paul at pfdubois.com
> * pha71 at cc.keele.ac.uk
> * rappe at sas.upenn.edu
> * rfsber at xs4all.nl
> * rgebauer at princeton.edu
> * rignanese at pcpm.ucl.ac.be
> * risea at cecalc.ula.ve
> * rmartin at uiuc.edu
> * rn11 at phy.cam.ac.uk
> * rob.bisseling at math.uu.nl
> * rohlfing at uni-muenster.de
> * rpm at wag.caltech.edu
> * schiotz at fysik.dtu.dk
> * schretien at chem.ucsb.edu
> * sgoedecker at cea.fr
> * shiwei at physics.wm.edu
> * smolnar at jadeinc.com
> * sohrab at uclink.berkeley.edu
> * sonnen at math.u-strasbg.fr
> * spoel at xray.bmc.uu.se
> * tone.kokalj at ijs.si
> * vh200 at phy.cam.ac.uk
> * warren at delanoscientific.com
> * wesley_jones at nrel.gov
>
> * smithja2 at dow.com
> * smzain at um.edu.my
> * vlj at interconnect.com
> * vmilman at accelrys.com
>
>
>
>
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--
Karsten W. Jacobsen, Professor
CAMP, Dept. of Physics, Building 307, DTU, DK-2800 Kongens Lyngby, Denmark
Phone: +45 45 25 31 86 Fax: +45 45 93 23 99
E-mail: kwj@fysik.dtu.dk; WWW: http://www.fysik.dtu.dk/~kwj