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09:04, 26 October 2023 Tal talk contribs moved page Plotting the BSE fatband structure to Plot BSE fatband
15:49, 23 October 2023 Huebsch talk contribs moved page Construction:Category:Dielectric Functions to Construction:Category:Dielectric properties without leaving a redirect
09:16, 23 October 2023 Huebsch talk contribs moved page Computing the phonon dispersion to Computing the phonon dispersion and DOS without leaving a redirect
08:23, 23 October 2023 Huebsch talk contribs created page Exchange-correlation functional (Redirected page to Category:Exchange-correlation functionals) Tag: New redirect
07:29, 23 October 2023 Miranda.henrique talk contribs deleted page Construction:HDF5 support (content was: "Since VASP 6.2.0 we started supporting the feature of reading and writing hdf5 files. The HDF5 file format {{cite|hdf5format:web}} is a hierarchical data file designed to store large amounts of numeric data. This file format combines the flexibility and hierarchy of an XML file with the speed and size economy of binary files. The writing and reading...", and the only contributor was "Miranda.henrique" (talk))
15:56, 20 October 2023 Vaspmaster talk contribs created page Talk:Self-consistency cycle (Created page with "* Explain why we turn to iterative matrix diagonalization instead of simply diagonalizing the Hamiltonian in the plane-wave basis.")
14:53, 20 October 2023 Miranda.henrique talk contribs created page Category:HDF5 support (Created page with "Since VASP 6.2.0 we started supporting the feature of reading and writing hdf5 files. The HDF5 file format {{cite|hdf5format:web}} is a hierarchical data file designed to stor...")
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
11:48, 20 October 2023 Huebsch talk contribs moved page Construction:Category:Forces to Category:Forces without leaving a redirect
11:48, 20 October 2023 Huebsch talk contribs deleted page Category:Forces (Deleted to make way for move from "Construction:Category:Forces")
11:46, 20 October 2023 Huebsch talk contribs moved page Construction:IMAGES to IMAGES without leaving a redirect
11:46, 20 October 2023 Huebsch talk contribs deleted page IMAGES (Deleted to make way for move from "Construction:IMAGES")
11:26, 20 October 2023 Huebsch talk contribs moved page Construction:Nudged elastic bands to Nudged elastic bands without leaving a redirect
11:26, 20 October 2023 Huebsch talk contribs deleted page Nudged elastic bands (Deleted to make way for move from "Construction:Nudged elastic bands")
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...")
10:39, 20 October 2023 Huebsch talk contribs moved page Difficult to converge systems to Troubleshooting electronic convergence
10:33, 20 October 2023 Vaspmaster talk contribs created page Talk:RMM-DIIS (Created page with "There are a few things that remain to be done: * Describe the parallelization strategy (NSIM). * Discuss the things that may go wrong, e.g. "losing" a state. * Mention that a...")
10:30, 20 October 2023 Huebsch talk contribs moved page Construction:LSINGLES to LSINGLES without leaving a redirect
10:24, 20 October 2023 Vaspmaster talk contribs deleted page Construction:RMM-DIIS (content has been moved into the main namespace)
10:22, 20 October 2023 Schlipf talk contribs moved page Improved Dimer Method to Improved dimer method
10:20, 20 October 2023 Huebsch talk contribs moved page Computing the Workfunction to Computing the work function
09:56, 20 October 2023 Schlipf talk contribs moved page Construction:Command line arguments to Command-line arguments
09:49, 20 October 2023 Schlipf talk contribs moved page Category:Transition States to Category:Transition states
09:19, 20 October 2023 Huebsch talk contribs created page Constrained random-phase approximation (Redirected page to Category:Constrained-random-phase approximation) Tag: New redirect
09:18, 20 October 2023 Svijay talk contribs moved page Computing the workfunction to Computing the Workfunction
09:17, 20 October 2023 Svijay talk contribs moved page Construction:Computing the workfunction to Computing the workfunction
09:02, 20 October 2023 Vaspmaster talk contribs created page Construction:RMM-DIIS (Created page with "The implementation of the Residual Minimization Method with Direct Inversion in the Iterative Subspace (RMM-DIIS) in {{VASP}}{{cite|kresse:cms:1996}}{{cite|kresse:prb:96}} is...")
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...")
08:38, 20 October 2023 Schlipf talk contribs moved page Category:Elastic band method to Nudged elastic bands
08:25, 20 October 2023 Vaspmaster talk contribs deleted page Davidson iteration scheme (Has been replaced)
07:58, 20 October 2023 Huebsch talk contribs deleted page Construction:Category:Biased molecular dynamics (content was: "'''Biased molecular dynamics''' (MD) refers to advanced MD-simulation methods that introduce a ''bias potential''. One of the most important purposes of using bias potentials is to enhance the sampling of phase space with low probability density (e.g. transition regions of chemical reactions). Depending on the type of sampling and in combination w...", and the only contributor was "Karsai" (talk))
03:32, 20 October 2023 Svijay talk contribs moved page Talk:Monopole Dipole and Quadrupole corrections to Talk:Monopole Dipole and Quadrupole Corrections
03:32, 20 October 2023 Svijay talk contribs moved page Monopole Dipole and Quadrupole corrections to Monopole Dipole and Quadrupole Corrections
19:24, 19 October 2023 Vaspmaster talk contribs created page Talk:Blocked-Davidson algorithm (Created page with "Add information in the INCAR tags that control the behaviour of the blocked-Davidson algorithm: * block size (NSIM?) * maximum depth and other break-off criteria (NRMM, DEPER...")
19:14, 19 October 2023 Vaspmaster talk contribs moved page Construction:Blocked-Davidson algorithm to Blocked-Davidson algorithm without leaving a redirect
17:56, 19 October 2023 Vaspmaster talk contribs created page Construction:Blocked-Davidson algorithm (Created page with "The workflow of the blocked-Davidson iterative matrix diagonalization scheme implemented in {{VASP}} is as follows: * Take a subset (block) of <math>n_1</math> orbitals out...")
15:18, 19 October 2023 Vaspmaster talk contribs deleted page Self-Consistency Cycle (Replaced)
15:17, 19 October 2023 Vaspmaster talk contribs moved page Construction:Self-consistency cycle to Self-consistency cycle without leaving a redirect
14:28, 19 October 2023 Vaspmaster talk contribs created page File:SCC.png
14:28, 19 October 2023 Vaspmaster talk contribs uploaded File:SCC.png
13:39, 19 October 2023 Huebsch talk contribs deleted page Construction:Available PAW PBE.54 orig UniVie release potentials for unoccupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H_GW || 1 || <math>1s^{1}</math> || 300.0 |- | H_h_GW || 1 || <math>1s^{1}</math> || 700.0 |- | He_GW || 2 || <math>1s^{2}</math> || 405.78 |- | Li_AE_GW || 3 ||...", and the only contributor was "Wolloch" (talk))
13:39, 19 October 2023 Huebsch talk contribs deleted page Construction:Available PAW LDA.54 original UniVie release potentials for occupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H || 1 || <math>1s^{1}</math> || 250.0 |- | H.25 || 0.25 || <math>1s^{0.25}</math> || 250.0 |- | H.33 || 0.33 || <math>1s^{0.33}</math> || 250.0 |- | H.42 || 0.4...", and the only contributor was "Wolloch" (talk))
13:39, 19 October 2023 Huebsch talk contribs deleted page Construction:Available PAW PBE.54 original UniVie release potentials for occupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H || 1 || <math>1s^{1}</math> || 250.0 |- | H.25 || 0.25 || <math>1s^{0.25}</math> || 250.0 |- | H.33 || 0.33 || <math>1s^{0.33}</math> || 250.0 |- | H.42 || 0.4...", and the only contributor was "Wolloch" (talk))
13:38, 19 October 2023 Huebsch talk contribs deleted page Construction:Available PAW PBE.52 orig UniVie release potentials for unoccupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H_GW || 1 || <math>1s^{1}</math> || 300.0 |- | H_h_GW || 1 || <math>1s^{1}</math> || 700.0 |- | He_GW || 2 || <math>1s^{2}</math> || 405.78 |- | Li_AE_GW || 3 ||...", and the only contributor was "Wolloch" (talk))
13:38, 19 October 2023 Huebsch talk contribs deleted page Construction:Available PAW PBE.52 original UniVie release potentials for occupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H || 1 || <math>1s^{1}</math> || 250.0 |- | H.25 || 0.25 || <math>1s^{0.25}</math> || 250.0 |- | H.33 || 0.33 || <math>1s^{0.33}</math> || 250.0 |- | H.42 || 0.4...", and the only contributor was "Wolloch" (talk))
13:25, 19 October 2023 Wolloch talk contribs moved page Construction:Lists of pseudopotentials to Construction:Available pseudopotentials over redirect
13:25, 19 October 2023 Wolloch talk contribs deleted redirect Construction:Available pseudopotentials by overwriting (Deleted to make way for move from "Construction:Lists of pseudopotentials")
13:17, 19 October 2023 Svijay talk contribs moved page Construction:Electrostatics to Category:Electrostatics
12:46, 19 October 2023 Wolloch talk contribs created page Pseudopotentials (Redirected page to Category:Pseudopotentials) Tag: New redirect