NPT pressure target

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fileti
Posts: 5
Joined: Thu Aug 18, 2016 11:04 pm

NPT pressure target

Post by fileti » Wed Sep 07, 2016 3:51 pm

Hello ABINIT users,
Could I set a target pressure (let's say, 1atm) for NPT simulations in the same way that we can set the temperature?
I'm in doubt in relation to this aspect because I do not know exactly under which constant pressure my NPT molecular dynamics will be performed if I choose ionmov 13 and optcel 1.

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Eudes

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