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--- events:2018_summer_school:scf_setup [2018/06/17 09:27] – [Other parameters] mwatkins
+++ events:2018_summer_school:scf_setup [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 208: / Line 208: @@
 Also change the pseudopotential you are using in the KIND sections so it matches the functional.
 </note>
+<note>**TASK**
+System size affects the efficiency too. You can find larger water boxes in the ''${main directory of my cp2k installation}/tests/QS/benchmarks'' directory, or {{https://sourceforge.net/p/cp2k/code/HEAD/tree/trunk/cp2k/tests/QS/benchmark/|online}}.
+Change the CELL parameters and the coordinates of the atoms and see how the methods scale.
+You could also explore how the methods scale with number of processors used.
+</note>
+<note>**TASK**
+And of course, probably the most important 'parameter' is the system itself. Water is quite well behaved - largely meaning it is closed shell and has a large band gap. Try similar tests on a system you are interested in!</note>