diff --git a/docs/workshop/03_geometry.md b/docs/workshop/03_geometry.md index 61d074d..c8c92fb 100644 --- a/docs/workshop/03_geometry.md +++ b/docs/workshop/03_geometry.md @@ -93,7 +93,7 @@ Remember you can use `castep.serial --help` to assist you with finding the appro * Scroll down through the file. Check to see how the forces and bond-length varies over iterations. * For advanced bash users, try `grep "F|max" H2.castep` to extract this from the file. * You may also want to visualise the `H2.cell` and (if you told castep to print it) the `H2-out.cell` files as in previous tutorials - * Finally, consider watching the optimisation by drag-and-dropping the `H2.geom` file into `Jmol` (VESTA will not animate it) + * Finally, consider watching the optimisation by drag-and-dropping the `H2.geom` file into `Jmol` (VESTA will not animate it) (Tools > Animate) * The experimental H2 bond length is about 0.74 Angstroms. How does your result compare? Extension A may give some insight into this! ### Extensions