Related inputs for ionmov 12 (isokinetic MD)

Total energy, geometry optimization, DFT+U, spin....

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fascinum
Posts: 4
Joined: Sat Oct 04, 2014 7:37 pm

Related inputs for ionmov 12 (isokinetic MD)

Post by fascinum » Tue Mar 01, 2016 1:27 pm

Hello,
in the description of the input ionmov=12 (MD for isokinetic ensemble),
the related inputs dtion and mdtemp are crossed out along with unrelated friction coefficient:
http://www.abinit.org/doc/helpfiles/for ... tml#ionmov

Is that a misprint, or what does that mean?

PS As I've tested, mdtemp doesn't affect kinetic energy, which corresponds to room temperature only :(

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