hello,
just a note - in vasp manual on page "Molecular -- Dynamics " there is example of
INCAR, however it miss the most importaint point: set IBRION=0
I think it's very confusing for somebody who tries run MD for first time, copy this example, and it does just geometry relaxation, and he can't imagine why the official example for MD doesn't do MD. :?
manual: Molecular Dynamics
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asija
manual: Molecular Dynamics
Last edited by asija on Wed Jun 30, 2010 8:26 am, edited 1 time in total.
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forsdan
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manual: Molecular Dynamics
The IBRION tag defaults to IBRION = 0 if NSW > 1. Therefore the supplied INCAR file will start a molecular dynamics simulation.
Cheers
/Dan
<span class='smallblacktext'>[ Edited Wed Jun 30 2010, 10:40AM ]</span>
Cheers
/Dan
<span class='smallblacktext'>[ Edited Wed Jun 30 2010, 10:40AM ]</span>
Last edited by forsdan on Wed Jun 30, 2010 8:40 am, edited 1 time in total.