All public logs
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- 15:08, 4 July 2024 Csheldon talk contribs uploaded a new version of File:ENCUT comp.png (Size of font and image)
- 15:15, 27 June 2024 Csheldon talk contribs uploaded a new version of File:ENCUT comp.png (Correctly labelled legend)
- 14:41, 27 June 2024 Csheldon talk contribs uploaded a new version of File:Kpoint comp.png (Larger scales)
- 13:12, 27 June 2024 Csheldon talk contribs created page File:Kpoint comp.png (Total energy vs lattice paramter of diamond. 250 eV energy cutoff. Two k-point meshes.)
- 13:12, 27 June 2024 Csheldon talk contribs uploaded File:Kpoint comp.png (Total energy vs lattice paramter of diamond. 250 eV energy cutoff. Two k-point meshes.)
- 13:11, 27 June 2024 Csheldon talk contribs created page File:ENCUT comp.png (Total energy vs lattice paramter of diamond. 2x2x1 k-point mesh. Two energy cutoffs.)
- 13:11, 27 June 2024 Csheldon talk contribs uploaded File:ENCUT comp.png (Total energy vs lattice paramter of diamond. 2x2x1 k-point mesh. Two energy cutoffs.)
- 12:52, 27 June 2024 Csheldon talk contribs created page Construction:Pulay stress (Created page with "Pseudopotential calculations are performed to calculate the energy of a cell using a finite number of plane waves and a finite number of k-points. When comparing between cells of different sizes, this results in them each having different plane wave basis sets. This would be solved by using an infinite number of k-points and plane waves. In practice, a large enough plane wave energy cutoff and number of k-points leads to converged energies. However, when the basis set is...")
