[Pw_forum] fnosee parameter

[Axel Kohlmeyer]

On Fri, Nov 23, 2012 at 9:10 PM, Karim REZOUALI
<karim.rezouali at univ-bejaia.dz> wrote:
> Dear Users,
>
> I am a newbie in Car-Parrinello molecular dynamics.
> I want to use it to perform a molecular dynamics using the Nose-Hoover thermostat
> implemented in the Quantum Espresso suite of computational code
> but i do not know how to determine the fnosee parameter. I will be very greatful if you
> can help me.

if you are new to car-parrinello MD, you would be
doing yourself a service to fist learn how to make
it work reliably *without* any thermostat.

cheers,
     axel.

>
> Karim
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum



--
Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.