XC functional

Another important input option is the XC functional to use.

For this tutorial the default simple (and fast) LDA potential during the SCF is sufficient. So just leave this at the default value

By selecting the LDA+GGA+METAGGA option for the xc energy ADF will print a table at the end of the calculation showing the energies with many different functionals:

Select the 'LDA+GGA+METAGGA' option for the xc energy after SCF

Again, since you made a change with respect to the default value the change is highlighted with a yellow color.

 

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