[CPMD-list] Call for help on uspp pseudopotential
JOSE LUIS RICARDO-CHAVEZ
ricardo at irsamc.ups-tlse.fr
Thu Feb 20 20:21:56 CET 2003
Hello!
Preparing pseudopotential files from scratch is tedious
and requires a lot of experience but there are well tested (?) input files
distributed with some packages like Vanderbilt's uspp package from
http://www.physics.rutgers.edu/~dhv that includes the pseudopotential
program, configuration files, and detailed instructions to make
pseudopotential files for most of the elements. After downloading
and compiling the package following the instructions indicated on the
web page just need to cd to $USPP/Work/ELEMENT and type
make; make install
et voila.
Hope this helps,
- Jose Luis
--
Jos¨¦ Luis RICARDO-CHAVEZ Tel. +33-5-61-55-68-33
Laboratoire de Physique Quantique Fax +33-5-61-55-60-65
Universit¨¦ Paul Sabatier
118 route de Narbonne
F-31062 Toulouse, France
e-mail: ricardo at irsamc.ups-tlse.fr
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