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).

11:10, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD METHOD to LIBMBD METHOD without leaving a redirect
11:05, 19 March 2024 Huebsch talk contribs created page Category:Version (Created blank page) Tag: Visual edit: Switched
11:04, 19 March 2024 Huebsch talk contribs moved page Construction:Changelog to Changelog without leaving a redirect
10:54, 19 March 2024 Huebsch talk contribs moved page Construction:BANDGAP to BANDGAP without leaving a redirect
10:53, 19 March 2024 Huebsch talk contribs moved page Construction:BSEELECTRON to BSEELECTRON without leaving a redirect
10:53, 19 March 2024 Huebsch talk contribs moved page Construction:BSEHOLE to BSEHOLE without leaving a redirect
10:52, 19 March 2024 Huebsch talk contribs moved page Construction:Plotting exciton wavefunction to Plotting exciton wavefunction without leaving a redirect
10:50, 19 March 2024 Huebsch talk contribs moved page Construction:XC C to XC C without leaving a redirect
10:50, 19 March 2024 Huebsch talk contribs moved page Construction:XC to XC without leaving a redirect
10:56, 13 March 2024 Vaspmaster talk contribs created page Talk:Known issues (Created page with "Below we provide an '''incomplete''' list of known issues. Please mind the description to see whether the issue has been fixed. Color legend: Open Resolved Planned Obsolete {| class="sortable wikitable" |- ! style=width:5em | Version fixed !! style="text-align:center;"| Version first noticed !! Date !! Descri...")
16:59, 12 March 2024 Vaspmaster talk contribs created page Construction:Changelog (Created page with "== 6.4.3 == ==== FEATURE ==== * Non-blocked Davidson minimizer ({{TAG|ALGO}} = dav <-> {{TAG|IALGO}} = 119). * Increased flexibility in the choice of exchange-correlation functionals: added the tags {{TAG|XC}} and {{TAG|XC_C}} to specify linear combinations of exchange-correlation functionals. * Spline interpolation of the electronic structure factor for k-point convergence acceleration of RPA correlation energies. * CSVR thermostat of Bussi et al. * Write potential (to...")
07:48, 26 February 2024 Huebsch talk contribs moved page Construction:IBAND to IBAND without leaving a redirect
07:48, 26 February 2024 Huebsch talk contribs deleted page IBAND (Deleted to make way for move from "Construction:IBAND")
07:47, 26 February 2024 Huebsch talk contribs moved page Construction:Kpuse to KPUSE without leaving a redirect
07:47, 26 February 2024 Huebsch talk contribs deleted page KPUSE (Deleted to make way for move from "Construction:Kpuse")
15:03, 23 February 2024 Mani talk contribs created page File:AlN-phonons-LR-comparison.png (Phonon dispersion relation of AlN (wurtzite) comparing calculations with and without long-range dipole corrections.)
15:03, 23 February 2024 Mani talk contribs uploaded File:AlN-phonons-LR-comparison.png (Phonon dispersion relation of AlN (wurtzite) comparing calculations with and without long-range dipole corrections.)
15:03, 23 February 2024 Mani talk contribs created page File:MgO-phonons-LR-comparison.png (Phonon dispersion relation of MgO comparing calculations with and without long-range corrections.)
15:03, 23 February 2024 Mani talk contribs uploaded File:MgO-phonons-LR-comparison.png (Phonon dispersion relation of MgO comparing calculations with and without long-range corrections.)
13:45, 22 February 2024 Huebsch talk contribs created page GW (Redirected page to Category:GW) Tag: New redirect
09:07, 21 February 2024 Huebsch talk contribs deleted page Category:VASP6 (content was: "Features that are likely to be released and already documented are enumerated below. However, it needs to be understood that some features that are listed below might not become available in the first release of VASP.6, though, they likely to become available in the long run. Features that are scheduled for release with VASP.6 include * Combining MPI and OpenMP * OpenACC to support GPUs * X-ray absorption spectroscopy (XAS)...")
08:08, 21 February 2024 Kaltakm talk contribs deleted page Construction:DMFT BASIS (content was: "{{DISPLAYTITLE:DMFT_BASIS}} {{TAGDEF|DMFT_BASIS|MLWF {{!}} BLOCH {{!}} LOCPROJ}} Description: Specifies which basis is used for Coulomb matrix elements in CRPA calculations. ---- This tag is effective for {{TAG|ALGO}}=CRPA[R] and {{TAG|ALGO}}=2E4W and is ignored otherwise. The tag affects how {{TAG|NTARGET_STATES}} is interpreted. For instance DMFT_BASIS = BLOCH NTARGET_STATES = 1 4 5 8 evaluates the Coulomb matrix elements in the Bloch basis for band 1, 4, 5 and 8. In...")
08:06, 21 February 2024 Kaltakm talk contribs created page DMFT BASIS (Created page with "{{DISPLAYTITLE:DMFT_BASIS}} {{TAGDEF|DMFT_BASIS|MLWF {{!}} BLOCH {{!}} LOCPROJ}} Description: Specifies which basis is used for Coulomb matrix elements in CRPA calculations. ---- This tag is effective for {{TAG|ALGO}}=CRPA[R] and {{TAG|ALGO}}=2E4W and is ignored otherwise. The tag affects how {{TAG|NTARGET_STATES}} is interpreted. For instance DMFT_BASIS = BLOCH NTARGET_STATES = 1 4 5 8 evaluates the Coulomb matrix elements in the Bloch basis for band 1, 4, 5 and...")
07:37, 14 February 2024 Huebsch talk contribs moved page Construction:PARCHG to PARCHG without leaving a redirect
07:36, 14 February 2024 Huebsch talk contribs deleted page PARCHG (Deleted to make way for move from "Construction:PARCHG")
09:24, 12 February 2024 Tal talk contribs moved page Construction:Plot exciton wavefunction to Construction:Plotting exciton wavefunction
16:31, 9 February 2024 Wolloch talk contribs created page Construction:Kpuse (Created page with "{{TAGDEF|KPUSE|[integer array]|not set}} Description: {{TAG|KPUSE}} sets a list of '''k''' points that contribute to calculating the partial charge density. ---- {{TAG|IBAND}} selects a subset of ''k''' points for which the partial charge density is calculated when {{TAG|LPARD}} = .TRUE.. Partial charge densities are written to the {{FILE|PARCHG}} file, or one of its variants, depending on the setting of {{TAG|LSEPB}} and {{TAG|LSEPK}}. {{NB|mind|All '''k''' point weigh...")
16:20, 9 February 2024 Wolloch talk contribs created page PARCHG.0001.0001 (Redirected page to PARCHG) Tag: New redirect
16:20, 9 February 2024 Wolloch talk contribs created page PARCHG.nb.ALLK (Redirected page to PARCHG) Tag: New redirect
16:19, 9 February 2024 Wolloch talk contribs created page PARCHG.ALLB.nk (Redirected page to PARCHG) Tag: New redirect
14:03, 9 February 2024 Svijay talk contribs moved page Construction:Practical considerations for transition state finding calculations to Practical considerations for transition state finding calculations
13:20, 9 February 2024 Singraber talk contribs created page Construction:ML MB MIN (Created page with "{{TAGDEF|ML_MB_MIN|[integer]}} {{DEF|ML_MB_MIN|2|}} Description: {{TAG|ML_MB_MIN}} sets the minimum number of local reference configurations required for generation of a machine-learned force field. ---- == Related tags and articles== {{TAG|ML_LMLFF}}, {{TAG|ML_MODE}}, {{TAG|ML_MB}}, {{TAG|ML_MCONF_NEW}}, {{TAG|ML_MCONF}}, {{TAG| ML_LBASIS_DISCARD}} {{sc|ML_MB_MIN|Examples|Examples that use this tag}} ---- <!-- Link to categories like this: Category:INCARCatego...")
13:19, 9 February 2024 Huebsch talk contribs moved page Müller-Plathe method to Construction:Müller-Plathe method without leaving a redirect
12:31, 9 February 2024 Singraber talk contribs created page Template:CB (Created page with "{{{1}}}<noinclude> == Purpose == Create a code block which can be indented with the usual <code>:</code> indentation marker. == Parameters == <nowiki> {{CB|<content>|<<padding>>}}</nowiki> == Examples == Without optional arguments these boxes are available: <nowiki> {{CB|MY_SPECIAL_TAG = A B C}} {{CB|MY_SPECIAL_TAG = A B C}} </noinclude>")
12:03, 9 February 2024 Huebsch talk contribs moved page Construction:Band-decomposed charge densities to Band-decomposed charge densities without leaving a redirect
12:02, 9 February 2024 Huebsch talk contribs moved page Construction:LPARD to LPARD without leaving a redirect
12:02, 9 February 2024 Huebsch talk contribs deleted page LPARD (Deleted to make way for move from "Construction:LPARD")
12:01, 9 February 2024 Huebsch talk contribs moved page Construction:LSEPK to LSEPK without leaving a redirect
12:01, 9 February 2024 Huebsch talk contribs deleted page LSEPK (Deleted to make way for move from "Construction:LSEPK")
11:59, 9 February 2024 Huebsch talk contribs deleted page Construction:LSEPB (content was: "{{TAGDEF|LSEPB|[logical]|.FALSE.}} Description: Specifies whether the partial charge density is summed up for all selected bands or separated and printed out in different files. ---- If {{TAG|LPARD}} = .TRUE. the partial charge density is calculated for a subset of bands selected via the {{TAG|IBAND}}, {{TAG|NBMOD}}, and {{TAG|EINT}} tags. If {{TAG|LSEPB}} is set to .TRUE., s...", and the only contributor was "Wolloch" (talk))
11:58, 9 February 2024 Huebsch talk contribs moved page Construction:NBMOD to NBMOD without leaving a redirect
11:57, 9 February 2024 Huebsch talk contribs deleted page NBMOD (Deleted to make way for move from "Construction:NBMOD")
11:57, 9 February 2024 Huebsch talk contribs moved page Construction:EINT to EINT without leaving a redirect
11:57, 9 February 2024 Huebsch talk contribs deleted page EINT (Deleted to make way for move from "Construction:EINT")
11:11, 9 February 2024 Miranda.henrique talk contribs created page Construction:Electric field response from density-functional-perturbation theory (Created page with "'''Density-functional-perturbation theory''' provides a way to compute the second-order linear response to ionic displacement, strain, and electric fields. The equations are derived as follows. In density-functional theory, we solve the Kohn-Sham (KS) equations :<math> H(\mathbf{k}) | \psi_{n\mathbf{k}} \rangle= e_{n\mathbf{k}}S(\mathbf{k}) | \psi_{n\mathbf{k}} \rangle, </math> where <math>H(\mathbf{k})</math> is the DFT Hamiltonian, <math>S(\mathbf{k})</math> is the...")
10:06, 9 February 2024 Mani talk contribs uploaded a new version of File:Scdm-bands-c-4.png (remove excessive padding)
09:57, 9 February 2024 Mani talk contribs created page File:Locproj-c-4.png (Band structure of diamond showing the four highest-lying valence states, comparing Wannier interpolation using LOCPROJ against ab-initio data.)
09:57, 9 February 2024 Mani talk contribs uploaded File:Locproj-c-4.png (Band structure of diamond showing the four highest-lying valence states, comparing Wannier interpolation using LOCPROJ against ab-initio data.)
21:47, 8 February 2024 Mani talk contribs created page Construction:Wannier orbitals from VASP (Start refactoring the page so that it combines LOCPROJ and SCDM into one. This makes more sense as the overlap between the two methods is just too large.)
17:10, 8 February 2024 Vaspmaster talk contribs created page BEXT (Created page with "{{DISPLAYTITLE:BEXT}} {{TAGDEF|BEXT|[real array]}} {{DEF|BEXT|0.0|if {{TAG|ISPIN}}{{=}}2|3*0.0|if {{TAG|LNONCOLLINEAR}}{{=}}.TRUE.| N/A | else}} Description: {{TAG|BEXT}} specifies an external magnetic field. ---- By means of the {{TAG|BEXT}} one may specify an external magnetic field that acts on the electrons in a Zeeman-like manner. This interaction is carried by an additional potential of the following form: * For {{TAG|ISPIN}}=2: :<math> V^{\uparrow} = V^{\uparr...")