[Pw_forum] Interpretation of NEB output

[Prasenjit Ghosh]

Dear Savita,


>          1       -393.7939748            1.417692            T
>          2       -394.0215500            0.040078            F
>          3       -391.2951677            0.080152            F
>          4       -391.4855499            0.081938            F
>          5       -391.5735955            2.666114            T
>
>
>
These are the perpendicular (to the path) component of the forces acting on
the image.

With regards,

Prasenjit

-- 
PRASENJIT GHOSH,
Assistant Professor,
IISER Pune,
First floor, Central Tower, Sai Trinity Building
Garware Circle, Sutarwadi, Pashan
Pune, Maharashtra 411021, India

Phone: +91 (20) 2590 8203
Fax: +91 (20) 2589 9790
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110407/c2666853/attachment.html>