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]
<mailto:[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] <mailto:[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 <tel:%2B31-53-489-2986>
--
Regards
Huan Tran
Department of Physics
University of Basel, Switzerland
Email: [email protected] <mailto:[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)
