[Pw_forum] Joining PWSCF development

[Norbert Nemec]

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