[Pw_forum] MD simulation temperature

Ali KACHMAR kachmar_ali at hotmail.fr
Fri Feb 8 00:13:16 CET 2013


Hi,

Where did you see this command? which example?

Best,
Ali
Date: Thu, 7 Feb 2013 17:49:37 -0500
From: npatra2 at uic.edu
To: pw_forum at pwscf.org
Subject: [Pw_forum] MD simulation temperature

Hi, 


I would like to run a md simulation for a chemical reaction at 300K. I see that there is a command "tempw=300" under $ions. I would like to confirm that this is the right input to run MD at 300K.


Thank You,
Niladri Patra
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University of Illinois at Chicago

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