[Pw_forum] neb.x with v5.0.2

[Paolo Giannozzi]

On Sat, 2013-06-01 at 17:18 +0200, paolo paoli100 wrote:

> I set atomic positions of the first and last image, but after running
> the first iteration, the file.crd has showed atomic positions
> different from the ones I choose. In the last image, a “-“ appeared
> before the “x” coordinate of an oxygen. [...]
> How can I deal with this problem?

are you sure it is a problem? are the two positions, the original
and the modified one, really different, i.e. not equivalent by a
lattice translation?

P.
-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222