[Pw_forum] QE for fusion applications?

Nichols A. Romero naromero at gmail.com
Wed Jan 29 17:53:48 CET 2014


Nicola,

I don't do this myself. But I am aware of people at Sandia and LLNL who use
DFT to study the equation of state for warm dense matter with some
connection to fusion.
I think folks are using a bunch of DFT codes: Qbox, VASP, QE, and also
using QE as input into QMC.

QMCPACK and CASINO use QE as their input wave function (you probably know
this).



On Tue, Jan 28, 2014 at 8:46 AM, Nicola Marzari <nicola.marzari at epfl.ch>wrote:

>
>
> Dear All,
>
>
> I've been asked by some colleagues working on a FP7 HPC project if
> there are any QE users that do materials modelling for fusion
> applications.
>
> Apparently in ITER meetings it has often been mentioned that QE
> is being used for these, but it's not clear who are the interested
> parties - if the case drop me a line. Worse case scenario is that
> there might be a bit of software support coming in.
>
> Thanks a lot,
>
>                                 nicola
>
>
> ----------------------------------------------------------------------
> Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
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>



-- 
Nichols A. Romero, Ph.D.
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