[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20080415/4ea5d890/attachment.htm>
More information about the CP2K-user
mailing list