I'm student and user of abinit for a long time, I'm happy to see the nose hover thermostat in the 5.6.4 version but I don't see the temperature in kelvin in the outfile, is there option in the input file to write to print the temperature ?
Many thanks
Cordially
Fabien Fontaine-Vive
printing temperature with nose-hover thermostat
Moderator: bguster
-
- Posts: 1
- Joined: Sat Mar 20, 2010 8:36 am
Re: printing temperature with nose-hover thermostat
It was really collective information.evan i am looking for the same, that is there any option in the input file to write to print the temperature,,,even i am also the same process if i'll get some info,i definitely share with you.
Re: printing temperature with nose-hover thermostat
Did you have a look at the molecular dynamics tutorial?
http://www.abinit.org/documentation/hel ... oldyn.html
Thank you for telling us whether the information available there is sufficient.
http://www.abinit.org/documentation/hel ... oldyn.html
Thank you for telling us whether the information available there is sufficient.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain
Simune Atomistics
Donostia-San Sebastián, Spain