Relax geometries before NEB??

Vasp transition state theory tools

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lexa
Posts: 8
Joined: Mon Feb 07, 2011 6:14 pm

Relax geometries before NEB??

Post by lexa »

Hi,

Sorry for my naive question but I am new to VASP and the NEB method:
Should I relax the initial and final positions then interpolate their resulting CONTCARS using nebmake.pl??

Thanks,
Alexandra
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graeme
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Joined: Tue Apr 26, 2005 4:25 am
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Re: Relax geometries before NEB??

Post by graeme »

yes
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