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Category:Crystal momentum: Revision history

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20 March 2026

  • curprev 16:0016:00, 20 March 2026 Huebsch talk contribs 4,908 bytes −1,156 Restructure into intro / theoretical background / k-point mesh setup; indent equations with ::; add cite|marietherese:2024 and cite|symmetry:martin:2022; add References section
  • curprev 15:5815:58, 20 March 2026 Huebsch talk contribs 6,064 bytes +55 Link both SCF calculation mentions to Setting up an electronic minimization
  • curprev 15:5315:53, 20 March 2026 Huebsch talk contribs 6,009 bytes +486 Fix "1. BZ" → "first BZ" in prose; "Mind that" → "Note that"; "w.r.t." → "with respect to"; remove duplicate n-index sentence; fix irred math label; add k-point mesh subsection with KSPACING_OPT/KPOINTS_OPT links

21 October 2024

  • curprev 11:3211:32, 21 October 2024 Huebsch talk contribs 5,523 bytes +5,523 Created page with "A crystal is characterized by the fact that it obeys translational symmetry. In many calculations, we only consider the primitive crystal unit cell to save computational time. However in a realistic bulk material, interactions go beyond the primitive unit cell. The concept of '''crystal momentum''' is crucial in order to take into account interactions that go beyond the primitive unit cell during the simulation and it is a consequence of translational invariance. Fo..."
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