Dear Derek, Wow, thank you for the information. I'll try to work with this.
Thanks Huan Tran On Tue, Apr 3, 2012 at 3:20 PM, Derek Stewart <[email protected]>wrote: > Dear Huan, > > In regards to your question on pseudopotential convertors, please have a > look at the NNIN Virtual Vault for Pseudopotentials: > > http://www.nnin.org/nnin_comp_psp_vault.html > > I have put together a list of all the pseudopotential generators and > convertors that I have found on the web. If people know of others, please > let me know and I will add these as well. > > Although there is not a direct convertor to Siesta format, there are quite > a few pseudopotential generators that will work for Siesta. > > The page also provides a database of pseudopotentials in Abinit, Quantum > Espresso, and Qbox format. If the Siesta developers do not have any > objections, I would be happy to work with them to include the Siesta > pseudopotentials in the database as well. > > Best regards, > > Derek > > > ################################ > Derek Stewart, Ph. D. > Senior Research Associatehttp://sites.google.com/site/dft4nano/ > 250 Duffield Hall > Cornell Nanoscale Facility (CNF) > Ithaca, NY 14853 > stewart (at) cnf.cornell.edu(607) 255-2856 > > > On 4/3/2012 8:54 AM, Federico Iori wrote: > > hi. > I've found this on the siesta mailing list archive. > > http://www.mail-archive.com/[email protected]/msg01684.html > > try to have a look! > > On 04/03/2012 02:35 PM, Huan Tran wrote: > > Hello > > Does anybody know if there is a tool to convert pseudopotentials from the > abinit format to siesta format? > > Thanks > Huan > > On Tue, Nov 15, 2011 at 2:53 PM, Diana Otalvaro <[email protected]>wrote: > >> Hello, >> >> Does someone have at hand some siesta-readable LDA TM2 >> pseudopotentials for Boron and Nitrogen? Since the siesta database is >> down, I cannot download them. >> >> Also, is there a tool to convert pseudopotentials in Abinit format to >> siesta format? I read in the siesta manual that it is possible to convert >> from XML format to psf format using Util/pseudo-xml. Is there a similar >> tool to convert from the standard Abinit format to psf? Otherwise, where do >> I get the pseudopotentials in XML format? >> >> I greatly appreciate anybody's help with this. >> >> All the best, >> >> Diana >> >> >> >> Diana Otálvaro >> [email protected] >> Computational Material Science >> MESA+ Institute for Nanotechnology >> University of Twente >> Carre 4049 >> Postbus 217 >> NL-7500 AE Enschede >> tel: +31-53-489-2986 >> >> >> >> >> >> >> >> >> >> > > > -- > Regards > Huan Tran > Department of Physics > University of Basel, Switzerland > Email: [email protected] > > > > -- > Dr. Federico Iori, PhD! > > Dipartimento di Scienze e Metodi per l' Ingegneria (DISMI) > Universita' di Modena e Reggio Emilia > Via Amendola,2 > Pad. Morselli > 42122 Reggio Emilia (Italy) > > -- Regards Huan Tran Department of Physics University of Basel, Switzerland Email: [email protected]
