Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-04-07 Thread Vasilii Artyukhov
Dear Eduardo, There seems to be something wrong with the database. I'm unable to access the pseudos, the links take me to an "object doesn't exist" page. 2008/3/12, Eduardo Anglada <[EMAIL PROTECTED]>: > > Dear Users of Siesta, > > There is a new collection of pseudopotentials available for SIEST

Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-04-04 Thread Sushil Auluck
hi, it would be nice if there is a possibility of downloading all the pseudos at one time.perhaps one tar-gzipped file for LDA and one for GGA. s.auluck -- Prof. Sushil Auluck Phone: +91-512-6798177(Home) D

Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-04-04 Thread apostnik
> hi, > it would be nice if there is a possibility of downloading all the pseudos > at one time.perhaps one tar-gzipped file for LDA and one for GGA. > s.auluck Hi, I'd desagree with this suggestion. Nobody ever needs all pseudos at one time, and downloading whatever is needed one by one stron

Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-04-04 Thread Eduardo Anglada
Dear Andrei, I've broken tha labels again! Sorry It is quite harmless, but I've removed them until the occupations labels are right. Thanks Eduardo On 04/04/2008, at 9:49, [EMAIL PROTECTED] wrote: Dear users, I've uploaded the new version of the database. As always any comments/suggestions ar

Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-04-04 Thread apostnik
> Dear users, > I've uploaded the new version of the database. > As always any comments/suggestions are really welcome. > Dear Eduardo, many thanks for the next piece of a nice job. Now as you welcome comments, here are some faults I've found. Hopefully they just concern the documentation (in both

Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-04-03 Thread hui shang
To Eduardo: I have tried to get the Si ' s pseudo but it's said " *ATENCIÓN*: *La página solicitada no se ha encontrado o el vínculo seguido es erróneo. Por favor, disculpe la molestia.* *WARNING*: *The requested object does not exist on this server. The link you followed is either ou

Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-04-03 Thread Eduardo Anglada
Dear users, I've uploaded the new version of the database. Now each pseudo has it's own web page with info about the matching radii, occupations, plots of the pseudos, and, if present the core charge density with its corresponding radius. As always any comments/suggestions are really welcome.

Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-03-26 Thread Eduardo Anglada
25, 2008 5:15:33 AM Subject: Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases Dear Reza, Which one did you download? Best, Eduardo Never miss a thing. Make Yahoo your home page. http://www.yahoo.com/r/hs

Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-03-25 Thread reza behnam
- Original Message From: Eduardo Anglada <[EMAIL PROTECTED]> To: SIESTA-L@listserv.uam.es Sent: Tuesday, March 25, 2008 5:15:33 AM Subject: Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases Dear Reza, Which one did you download? Bes

Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-03-25 Thread Eduardo Anglada
Dear Reza, Which one did you download? Best, Eduardo

Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-03-17 Thread reza behnam
made a mistake? Thanks, Reza - Original Message From: Eduardo Anglada <[EMAIL PROTECTED]> To: SIESTA-L@listserv.uam.es Sent: Wednesday, March 12, 2008 10:22:54 AM Subject: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases Dear Users of Siesta, There is a new collection of pseudo

Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-03-14 Thread reza behnam
TED]> To: SIESTA-L@listserv.uam.es Sent: Wednesday, March 12, 2008 10:22:54 AM Subject: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases Dear Users of Siesta, There is a new collection of pseudopotentials available for SIESTA! I have translated the LDA/GGA pseudos in the Fritz-Haber-In

Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-03-14 Thread chu-chun fu
Hola Eduardo, Gracias! Una cosa, me fije de nuevo tu tabla en el web site de Siesta, muy rapidamente los pseudos de GGA, me di cuenta que los 4d estan bien pero los 3d de transition metals siguen vacios! a lo mejor todavia un pequenio bug ? Sino, te agradeceria que me des los valores de part

Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-03-13 Thread chu-chun fu
Hola de nuevo, Siguiendo mi email anterior y con Eduardo Machado que esta haciendo postdoc conmigo aqui, vimos que en los otros elementos 3d tambien tienen vacios de electrones el 3d. Quisiera preguntarte si sabes a que se debe esto ? Gracias Chu Chun chu-chun fu wrote: Hola Eduardo, Muc

Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-03-13 Thread chu-chun fu
Hola Eduardo, Muchad gracias por tu trabajo de pseudos. Soy Chu Chun Fu, trabajo en CEA, Francia, creo que nos habiamos encontrado una vez en una conferencia en Sicily. estoy trabajando con metales de transicion (3d) y ultimamente con FeCr, y fabrico los pseudos por mi misma en general. Cr es

Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-03-12 Thread Riccardo Rurali
ERES UN CRACK, TÍO! TE QUEREMOS :-):-):-):-):-) Riccardo Eduardo Anglada wrote: Dear Users of Siesta, There is a new collection of pseudopotentials available for SIESTA! I have translated the LDA/GGA pseudos in the Fritz-Haber-Instute (FHI) format of ABINIT's database found in http://www.abi

Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-03-12 Thread Marcos Verissimo Alves
Fantastic! That's a great job, thanks Eduardo! Marcos Vous avez écrit / You have written / Lei ha scritto / Você escreveu... Eduardo Anglada > Dear Users of Siesta, > > There is a new collection of pseudopotentials available for SIESTA! > I have translated the LDA/GGA pseudos in the Fritz-Haber-

[SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases

2008-03-12 Thread Eduardo Anglada
Dear Users of Siesta, There is a new collection of pseudopotentials available for SIESTA! I have translated the LDA/GGA pseudos in the Fritz-Haber-Instute (FHI) format of ABINIT's database found in http://www.abinit.org/Psps/?text=psps so now they can be used with SIESTA. The database can b