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events:2018_summer_school:scf_setup [2018/06/17 09:34] – [Other parameters] mwatkinsevents:2018_summer_school:scf_setup [2018/06/17 09:38] – [Other parameters] mwatkins
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 Change the CELL parameters and the coordinates of the atoms and see how the methods scale. Change the CELL parameters and the coordinates of the atoms and see how the methods scale.
 </note> </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>
events/2018_summer_school/scf_setup.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1