Differences

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

--- exercises:2018_uzh_cmest:calculation_pbc [2018/09/17 12:52] – external edit 127.0.0.1
+++ exercises:2018_uzh_cmest:calculation_pbc [2018/11/06 09:10] – [Calculations with Periodic Boundary Conditions] abussy
@@ Line 85: / Line 85: @@
         h2o_pbc.inp > "h2o_pbc_x-${x}.inp"
-    cp2k.sopt -i "h2o_pbc_x-${x}.inp" -o "h2o_pbc_x-${x}.out" &
+    cp2k.popt -i "h2o_pbc_x-${x}.inp" -o "h2o_pbc_x-${x}.out" &
 done