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Step function bias (status=4 in ICONST) with Langevin thermostat (MDALGO=3)
Posted: Thu Aug 01, 2024 3:53 pm
by hoang_tran1
Running MD with these settings (in title) did not work for me. I'm using VASP 5.4.4 .. is it just not implemented?
Thank you~
Re: Step function bias (status=4 in ICONST) with Langevin thermostat (MDALGO=3)
Posted: Fri Aug 02, 2024 7:16 am
by manuel_engel1
Hi,
Thanks for posting on the forum. What exactly is not working? Does the calculation not produce the desired results, is it crashing or are there warnings or errors?
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