All public logs
Combined display of all available logs of VASP Wiki. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).
- 09:24, 12 February 2024 Tal talk contribs moved page Construction:Plot exciton wavefunction to Construction:Plotting exciton wavefunction
- 17:48, 7 February 2024 Tal talk contribs created page TDDFT calculations (Redirected page to Bethe-Salpeter-equations calculations) Tag: New redirect
- 17:44, 7 February 2024 Tal talk contribs moved page Construction:Time-dependent density-functional theory calculations to Time-dependent density-functional theory calculations
- 16:03, 7 February 2024 Tal talk contribs created page Construction:BSEELECTRON (Created page with "{{TAGDEF|BSEELECTRON|[integer],[integer],[integer]|}} Description: {{TAG|BSEELECTRON}} sets the coordinates of the fixed electron in the exciton wavefunction calculated in BSE. The coordinates are provided in direct (fractional) coordinates. == Related tags and sections == {{TAG|BSE}}, {{TAG|BSEFATBAND}}, BSE calculations {{sc|NBSEEIG|Examples|Examples that use this tag}} ---- Category:INCAR tagCategory:Many-body perturbation theoryCategory:Bethe-Salpeter...")
- 15:41, 7 February 2024 Tal talk contribs created page Construction:BSEHOLE (Created page with "{{TAGDEF|NBSEEIG|[integer]|1}} Description: {{TAG|NBSEEIG}} sets the number of BSE eigenvectors written to the {{FILE|BSEFATBAND}} output file. == Related tags and sections == {{TAG|BSE}}, {{TAG|BSEFATBAND}}, BSE calculations {{sc|NBSEEIG|Examples|Examples that use this tag}} ---- Category:INCAR tagCategory:Many-body perturbation theoryCategory:Bethe-Salpeter equations")
- 15:10, 29 January 2024 Tal talk contribs created page Construction:Plot exciton wavefunction (Created page with "The exciton wavefunction can be written as <math>\psi_\lambda\left(r_e,r_h\right)=\sum_{vc} A_{vc}^\lambda \psi_v(r_h)\psi_c^*(r_e)</math> and depends on coordinates of a hole as well as an electron, thus two coordinates. In order to represent this function in 3D space we need to fix either the position of the electron $\psi_\lambda(r^*_e,r_h)$ or that of the hole $\psi_\lambda(r_e,r^*_h)$ File:HBN exciton.png|500px|thumb|Charge density of the first bright exciton...")
- 15:01, 29 January 2024 Tal talk contribs created page File:HBN exciton.png (Charge-density of the first bright exciton in hBN.)
- 15:01, 29 January 2024 Tal talk contribs uploaded File:HBN exciton.png (Charge-density of the first bright exciton in hBN.)
- 09:04, 26 October 2023 Tal talk contribs moved page Plot BSE fatband to Plot BSE fatbands
- 09:04, 26 October 2023 Tal talk contribs moved page Plotting the BSE fatband structure to Plot BSE fatband
- 11:59, 20 October 2023 Tal talk contribs moved page Construction:BSEPREC to BSEPREC
- 11:59, 20 October 2023 Tal talk contribs moved page Construction:IBSE to IBSE
- 10:41, 20 October 2023 Tal talk contribs created page Construction:IBSE (Created page with "{{TAGDEF|IBSE|[integer]}} {{DEF|IBSE| 0 | }} Description: {{TAG|IBSE}} can be used to select the algorithm for solving the Bethe-Salpeter or Casida equation. ---- The follow...")
- 08:50, 20 October 2023 Tal talk contribs created page Construction:BSEPREC (Created page with "{{TAGDEF|BSEPREC|Low {{!}} Medium {{!}} High {{!}} Accurate | Medium}} Description: {{TAG|BSEPREC}} determines the precision for the time-evolution calculation in BSE and T...")
- 14:11, 17 October 2023 Tal talk contribs moved page Construction:Time-dependent density functional theory calculations to Construction:Time-dependent density-functional theory calculations
- 14:10, 17 October 2023 Tal talk contribs created page Construction:Time-dependent density functional theory calculations (Created page with "VASP offers a powerful module for performing time-dependent density functional theory (TDDFT) or time-dependent Hartree-Fock (TDHF) calculations in the Casida formulation {{ci...")
- 16:33, 16 October 2023 Tal talk contribs moved page Construction:Plotting the BSE fatband structure to Plotting the BSE fatband structure
- 16:26, 16 October 2023 Tal talk contribs created page Construction:Category:Time-dependent density functional theory (Created page with "The formalism of the Bethe-Salpeter equation (BSE) allows for calculating the polarizability with the electron-hole interaction and constitutes the state of the art for calcul...")
- 07:19, 24 October 2022 Tal talk contribs moved page Construction:IALL IN ONE to Construction:IALL IN ONE MBPT
- 07:03, 24 October 2022 Tal talk contribs created page Construction:IALL IN ONE (Created page with "{{TAGDEF|IALL_IN_ONE_MBPT|0 {{!}} 1 }} {{DEF|IALL_IN_ONE_MBPT|0|}} Description: {{TAG|IALL_IN_ONE_MBPT}} enables the all-in-one MBPT calculation, i.e., {{TAG|ALGO}}= GWR, RP...")
- 15:59, 20 July 2022 Tal talk contribs created page File:Bsefatband.png
- 15:59, 20 July 2022 Tal talk contribs uploaded File:Bsefatband.png
- 15:49, 20 July 2022 Tal talk contribs created page File:Bsefatband.pdf
- 15:49, 20 July 2022 Tal talk contribs uploaded File:Bsefatband.pdf
- 14:42, 20 July 2022 Tal talk contribs created page Construction:Plotting the BSE fatband structure (Created page with "It can be useful to inspect which electron-hole pairs contribute the most to a particular BSE eigenvector. In VASP it is possible to write the first {{TAG|NBSEEIG}} eigenvecto...")
- 12:52, 8 April 2022 Tal talk contribs created page LORBITALREAL (Created page with "{{TAGDEF|LORBITALREAL|.TRUE. {{!}} .FALSE.}} {{DEF|LORBITALREAL|.FALSE.|}} Description: {{TAG|LORBITALREAL}} forces VASP to make the orbitals <math> \phi({\bf r}) </math> rea...")
- 14:26, 7 April 2022 Tal talk contribs created page LFXC (Created page with "{{TAGDEF|LFXC|.TRUE. {{!}} .FALSE.}} {{DEF|LFXC|.FALSE.|}} Description: {{TAG|LFXC}} enables the local exchange-correlation kernel in TD-DFT and BSE ca...")
- 12:08, 1 February 2022 Tal talk contribs created page WPLASMAI (Created page with "{{TAGDEF|WPLASMAI|[real]|0}} Description: {{TAG|WPLASMAI}} sets the imaginary part of plasma frequency in eV. ---- If {{TAG|WPLASMAI}}>0 the Drude term is added to the densit...") Tag: Visual edit: Switched