Relax geometries before NEB??
Posted: Fri Feb 11, 2011 6:41 pm
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
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