[xcrysden] out file for NEB calculation at espresso

Gavin Abo gsabo at crimson.ua.edu
Thu Feb 14 05:59:30 CET 2019


Are you referring to prefix.path file described on the webpage at:

https://www.quantum-espresso.org/Doc/neb_user_guide/node9.html

If so, it looks like you cannot view that undocumented format file with 
XCrySDen.  However, it does look like should be able to view the 
prefix.axsf file.

On 2/13/2019 2:52 PM, Berna Akgenc wrote:
> Dear All Crysden Users,
>
> I would like to ask how I can draw .path file for NEB calculation at 
> the espresso ?
>
> "xcrysden --axsf out" does not work correctly.
>
> Many thanks
>
> -- 
> Berna Akgenc
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