> (2) Why Siesta users are looking for suitable pseudopotentials. The atom > program is providing a complete suite for generation & testing of PPs. > Is there something a problem with that?
It's because sometimes we are just "lazy" to generate pseudos, which is a task that consumes time and effort. Most probably someone has generated the pseudopotential you want, has tested it in a crystalline and molecular environment and seen that it works; why not use it? Generating pesudopotentials is indeed easy. The real problem is to generate a GOOD one... :) Marcos > > Thanks in advance, > -- > Ashok Arya > -- Dr. Marcos Verissimo Alves Post-Doctoral Fellow Condensed Matter and Statistical Physics Sector International Centre for Theoretical Physics Trieste, Italy -------- I have become so addicted to vi that I try to exit OpenOffice by typing :wq!
