Welcome Norbert. We look forward to hearing back from you and to work with you - SB
On Jan 21, 2010, at 12:33 PM, Norbert Nemec wrote: > Hello everybody! > > I have just taken on a new project at the University College London with > Dario Alf? and Mike Gillan. Part of my task will be the development of > an improved wave function export from PWSCF to CASINO. I have already > reworked the pw2casino tool included with quantum-espresso. Ultimately, > I plan to include part of this tool into the PWSCF code itself, so that > CASINO wave functions can be written on-the-fly during an MD run. > > I am very happy that Q-E is an Open Source project and plan to > contribute back all the improvements that I make to the code. The change > to the PWSCF code will be minimal -- just a few options, an optional > function call in the MD loop and an additional file in PW/ containing > the core routine of pw2casino. > > See you around! > Norbert Nemec > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100122/fd351669/attachment.htm
