Step 2 - Set up Atomic Species

Now let’s generate our atomic species, assign the atom types that we created in the last step, and create a basic site for each so we can do some analysis afterwards. First, the silicon:

Species ⇨ Create ⇨ Atomic…

Select silicon from the periodic table

Si species tab, Forcefield section

In the table of atoms change the AtomType for the atom to Si

Si species tab, Analysis Sites section

Select the silicon atom in the viewer, and click Create in the toolbar to create a site

And now, the oxygen:

Species ⇨ Create ⇨ Atomic…

Select oxygen from the periodic table

O species tab, Forcefield section

In the table of atoms change the AtomType for the atom to O

O species tab, Analysis Sites section

Select the oxygen atom in the viewer, and click Create in the toolbar to create a site


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Last modified March 10, 2023: Web docs styling (#1350) (43924dc)