About PseudoDojo
The PseudoDojo.org website gives access to the latest released version of the pseudopotentials of the PseudoDojo project.
The PseudoDojo project is hosted on github. It is a python package to develop, test and store pseudo potentials.
Previous versions can be found in the git repository.
The web interface provides various files:
- psp8 : (NC) the pseudo in the psp8 format (abinit)
- upf : (NC) the pseudoo in the upf format (quantum esperesso)
- psml : (NC) the pseudoo in the psml format (siesta)
- xml : (PAW) the paw dataset in xml format (abinit)
- html : (NC) the test report of the pseudo as a static html version of the dojo report jupyter notebook.
- djrepo : (NC) the test report of the pseudo as a json document.
The current version provided at this web interface are
NC version 0.4: ONCVPSP_PDv0.4 in the git repository.
NC version 0.3: ONCVPSP_PDv0.3 in the git repository.
PAW JTH version 1.0.
Contributors Pseudo Dojo
| Matteo Giantomassi | python infrastructure, NC tables |
| Michiel J. van Setten | python infrastructure, NC tables, web interface |
| François Jollet | PAW tables |
| Marc Torrent | PAW tables |
| Eric Bousquet | NC lanthanides |
| Don Hamann | NC tables |
| Jean-Michel Beuken | web interface |
| Gian-Marco Rignanese | advisor, web interface |
| Matthieu Verstraete | advisor, psml format |
| Xavier Gonze | advisor |