[Pw_forum] Joining PWSCF development

[Stefano Baroni]

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 Alfè 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
> _______________________________________________
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> 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)

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