printing temperature with nose-hover thermostat

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fontaine
Posts: 1
Joined: Tue Mar 09, 2010 2:17 pm

printing temperature with nose-hover thermostat

Post by fontaine » Tue Mar 09, 2010 2:19 pm

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

avadhraj12
Posts: 1
Joined: Sat Mar 20, 2010 8:36 am

Re: printing temperature with nose-hover thermostat

Post by avadhraj12 » Sat Mar 20, 2010 9:55 am

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.

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pouillon
Posts: 651
Joined: Wed Aug 19, 2009 10:08 am
Location: Spain
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Re: printing temperature with nose-hover thermostat

Post by pouillon » Tue Feb 04, 2014 5:21 pm

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.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

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