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Relax geometries before NEB??

Posted: Fri Feb 11, 2011 6:41 pm
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

Re: Relax geometries before NEB??

Posted: Fri Feb 11, 2011 7:59 pm
by graeme
yes