On Apr 26, 2011, at 12:49 , WANG Wei wrote: > I have no idea about calculating NEB with QE 4.3.
so why are you using NEB if you have "no idea"? > I used the following commands to perform NEB calculations, but > error occurred > > ~/bin/neb.x <neb.in> log.neb you cannot use this syntax any longer: http://www.quantum-espresso.org/user_guide/node29.html Use "~/bin/neb.x -inp neb.in" P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222