howto:converging_cutoff
Differences
This shows you the differences between two versions of the page.
| Both sides previous revisionPrevious revisionNext revision | Previous revisionLast revisionBoth sides next revision | ||
| howto:converging_cutoff [2017/06/20 14:29] – 130.237.185.202 | howto:converging_cutoff [2018/06/07 19:26] – [''QUICKSTEP'' Multi-Grid] typo fixed 2a00:23c5:a606:4c00:ad5d:bdc7:2da7:210f | ||
|---|---|---|---|
| Line 30: | Line 30: | ||
| how the multi-grid is constructed in '' | how the multi-grid is constructed in '' | ||
| Gaussians are mapped onto the different grid levels. Hopefully this | Gaussians are mapped onto the different grid levels. Hopefully this | ||
| - | will offer the reader | + | will offer the reader a clear picture of how the key control |
| parameters affect the grids, and thus the overall accuracy of a | parameters affect the grids, and thus the overall accuracy of a | ||
| calculation. | calculation. | ||
| Line 67: | Line 67: | ||
| Therefore, the two most important keywords effecting the | Therefore, the two most important keywords effecting the | ||
| integration grid and the accuracy of a calculation are [[inp> | integration grid and the accuracy of a calculation are [[inp> | ||
| - | [[inp> | + | [[inp> |
| and the calculation may become inaccurate; and if '' | and the calculation may become inaccurate; and if '' | ||
| too low, then even if you have a high [[inp> | too low, then even if you have a high [[inp> | ||
howto/converging_cutoff.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1