Differences

This shows you the differences between two versions of the page.

--- exercises:2016_uzh_cmest:geometry_optimization [2016/10/19 12:04] – [2. Step: Optimizing the geometry] tmueller
+++ exercises:2016_uzh_cmest:geometry_optimization [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 62: / Line 62: @@
       MAX_SCF 300
     &END SCF
-    &XC                        ! Parametes needed to compute the electronic exchange potential
+    &XC                        ! Parameters needed to compute the electronic exchange potential
       &XC_FUNCTIONAL PBE
       &END XC_FUNCTIONAL