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 | |
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Convergence of SIESTA parameters |
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0 | 271 | October 25, 2018 |
High-symmetry k-points |
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1 | 486 | October 29, 2018 |
Convergence issues |
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1 | 1641 | October 29, 2018 |
The eggbox-effect in DFT calculations |
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1 | 1128 | October 29, 2018 |
MeshCutOff convergence |
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1 | 362 | October 29, 2018 |
MeshCutoff option |
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1 | 945 | October 29, 2018 |
Size of the box: Adding vacuum |
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1 | 450 | October 29, 2018 |
k-points convergence |
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1 | 348 | October 29, 2018 |
Number of k-points used in a SIESTA calculation |
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1 | 614 | October 29, 2018 |