[Pw_forum] Problem with the input file format for NEB
giannozz at democritos.it
Tue Jun 7 20:44:50 CEST 2011
On Jun 7, 2011, at 7:06 , psavita at crlindia.com wrote:
> I have recently installed espresso version 4.3 that has a separate
> neb.x to simulate reactions.
> I followed the input file pattern of example 17, however, this
> seems unacceptable [...]
> Can someone tell what is the correct format for the input script/file?
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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