events:2018_summer_school:converging_cutoff
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| Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
| exercises:2018_uol_school:converging_cutoff [2018/05/31 13:07] – [Analysis] mwatkins | exercises:2018_uol_school:converging_cutoff [2018/05/31 13:08] – [Analysis] mwatkins | ||
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| Line 238: | Line 238: | ||
| <note tip> | <note tip> | ||
| Also change the psuedo potential to the appropriate functional. | Also change the psuedo potential to the appropriate functional. | ||
| + | < | ||
| + | &KIND O | ||
| + | BASIS_SET DZVP-MOLOPT-SR-GTH-q6 | ||
| + | POTENTIAL GTH-PADE-q6 | ||
| + | &END KIND | ||
| + | </ | ||
| + | PADE is a synonym for LDA. | ||
| </ | </ | ||
events/2018_summer_school/converging_cutoff.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1