[Wannier] Molecular dynamics and Wannier

Nicola Marzari nicola.marzari at epfl.ch
Mon Apr 25 19:10:28 CEST 2016


On 25/04/2016 18:27, Biswajit Santra wrote:
> Dear Damien,
>
> For your information, the Wannier dynamics in CP part of the
> quantum-espresso still works fine.


Delighted to hear! (sometimes codes have the tendency to drift
away from the Born-Oppenheimer surface...)

			nicola


-- 
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Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project



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