update equation for updated NEB code

2021-07-26 18:45:37 -04:00
parent cca17feb27
commit 829bc8a617
1 changed files with 1 additions and 1 deletions
--- a/doc/src/fix_neb.rst
+++ b/doc/src/fix_neb.rst
@ -89,7 +89,7 @@ first stage) is changed to:

 .. parsed-literal::

-   Fi = -Grad(V) + 2 (Grad(V) dot T') T'
+   Fi = -Grad(V) + 2 (Grad(V) dot T') T' + Fnudge_perp

 and the relaxation procedure is continued to a new converged MEP.