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CSVR Thermostat (MDALGO=5)

Posted: Fri Mar 01, 2024 4:12 pm
by romain_reocreux2
Hi everyone,
Has anyone tried to run AIMD simulations with the CSVR thermostat (MDALGO=5)?
I've tried different versions of VASP6 (6.2.0 and 6.4.2) and I keep getting the following error:
"invalid value of MDALGO:
----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <----"
Anyone successful using this thermostat with vasp6?
Romain.

Re: CSVR Thermostat (MDALGO=5)

Posted: Fri Mar 01, 2024 9:56 pm
by ferenc_karsai
This version is not yet in the official VASP version. It's only in the developers version of VASP and is currently under testing.

I see that there is an entry for it in the wiki. It was a mistake to not mention that it is only available in the developers version. I've made now a remark on the wiki page. Sorry for the confusion.

It's not shure at the moment in which version the feature becomes available, but we will announce it when it's clear.

Re: CSVR Thermostat (MDALGO=5)

Posted: Sat Mar 02, 2024 2:55 pm
by romain_reocreux2
I see, thanks for your message.
Looking forward to being able to use this thermostat with VASP!