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11 June 2024

  • 10:0010:00, 11 June 2024 diff hist +1,637 N NBSEBLOCKVCreated page with "{{TAGDEF|NBSEBLOCKV|[integer]}} {{DEF|NBSEBLOCKV|-1|}} Description: {{TAG|NBSEBLOCKV}} specifies the blocking factor for the unoccupied states when setting up the BSE Hamiltonian. ---- By default, the construction of the BSE Hamiltonian in VASP is parallelized over k-points, such that each MPI rank can compute a pair of k-points. This way the BSE Hamiltonian setup can be parallelized up to <math>\mathrm{NKPTS*(NKPTS+1)/2}</math> MPI ranks or <math>\mathrm{NKPTS*2*(NKPTS..."
  • 07:0907:09, 11 June 2024 diff hist +8 SCISSORNo edit summary

10 June 2024

  • 15:1415:14, 10 June 2024 diff hist +1 SCISSORNo edit summary
  • 15:1415:14, 10 June 2024 diff hist +41 SCISSORNo edit summary
  • 15:0815:08, 10 June 2024 diff hist +871 N SCISSORCreated page with "{{TAGDEF|SCISSOR|[real]}} {{DEF|SCISSOR|0|}} Description: {{TAG|SCISSOR}} specifies the shift for the scissor operator in eV. ---- Scissor operator in GW and BSE calculations shifts the conduction bands relative to the valence states{{cite|vincenzo:prb:1995}}. For example, scissor operator can be used in the BSE calculations to match the band gap to the known experimental value, thus achieving the right offset in the calculated spectrum. Notably, unlike the self-energy..."
  • 15:0015:00, 10 June 2024 diff hist +172 Template:CiteNo edit summary

4 June 2024

16 February 2024

12 February 2024

8 February 2024

7 February 2024

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