Dear community, I would like to study the molecular dissociation of a biatomic system on a metallic surface through NEB theory under the effect of external electric field
What would be your best approach? Sorry for the very open question but we could go in details while discussing Thank you all and best regards Vincenzo Verdolino Vincenzo Verdolino, PhD Computer Science Department, Università della Svizzera italiana - ETH Via Giuseppe Buffi 13, Lugano 6900 Switzerland Phone: +41 58 666 48 11 Skype: vincenzo.verdolino e-mail: verdo...@chem.phys.ethz.ch <mailto:verdo...@chem.phys.ethz.ch> vincenzo.verdol...@gmail.com <mailto:vincenzo.verdol...@gmail.com> website: www.gpv-ar.com <http://www.gpv-ar.com/>
_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
