Convergence
k-points Discussion about k-points. Real Space Box Size of the box MeshCutOff and more. SCF Self-Consistent Field (SCF).
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| Convergence of SIESTA parameters |
|
0 | 480 | October 25, 2018 |
| Optical spectrum of Zeolite |
|
1 | 141 | December 12, 2023 |
| High-symmetry k-points |
|
1 | 691 | October 29, 2018 |
| Convergence issues |
|
1 | 2460 | October 29, 2018 |
| The eggbox-effect in DFT calculations |
|
1 | 1898 | October 29, 2018 |
| MeshCutOff convergence |
|
1 | 601 | October 29, 2018 |
| MeshCutoff option |
|
1 | 1551 | October 29, 2018 |
| Size of the box: Adding vacuum |
|
1 | 758 | October 29, 2018 |
| k-points convergence |
|
1 | 782 | October 29, 2018 |
| Number of k-points used in a SIESTA calculation |
|
1 | 890 | October 29, 2018 |