[CP2K:949] problems using CSVR thermostat

Teodoro Laino teodor... at gmail.com
Tue Apr 15 21:57:54 UTC 2008


You've to specify the keyword TYPE CSVR..
http://cp2k.berlios.de/input/ 
InputReference~__ROOT__~MOTION~MD~THERMOSTAT.html#TYPE

or have a look at the several input templates in the tests directory.

Teo

On 15 Apr 2008, at 23:55, Ali wrote:

>     &THERMOSTAT
>       &CSVR
>         TIMECON 200.
>       &END CSVR
> !      &NOSE
> !      &END NOSE
>     &END THERMOSTAT

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