Dear Sir,
I have calculated reaction pathway using NEB method. I read in
one paper to reduce the energy barrier 'zero point energy corrections' need
to be done. But may I know how this is implemented in Quantum espresso and
how to calculate it.Thanks in advance Pallavi Bothra Ph.D student JNCASR, Bangalore -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130206/a1633f74/attachment.html
