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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).
- 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")
- 11:06, 8 February 2024 Huebsch talk contribs deleted page Construction:Available USPP LDA potentials for occupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! ENAMX [eV] |- | H.75 || 0.75 || 200.0 |- | H1.25 || 1.25 || 200.0 |- | H_200eV || 1 || 200.0 |- | H_soft || 1 || 150.0 |- | Li || 1 || 76.427 |- | Li_h || 1 || 200...", and the only contributor was "Wolloch" (talk))
- 11:06, 8 February 2024 Huebsch talk contribs deleted page Construction:Available USPP PW91 potentials for occupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! ENAMX [eV] |- | H_200eV || 1 || 200.0 |- | H_soft || 1 || 150.0 |- | Li || 1 || 76.254 |- | Li_h || 1 || 250.0 |- | Li_pv || 1 || 250.0 |- | Be || 2 || 251.408...", and the only contributor was "Wolloch" (talk))
- 11:05, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW PBE.64 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))
- 11:05, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW LDA.64 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> || 404.806 |- | Li_AE_GW || 3 |...", and the only contributor was "Wolloch" (talk))
- 11:05, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW LDA.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> || 404.806 |- | Li_AE_GW || 3 |...", and the only contributor was "Wolloch" (talk))
- 11:05, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW PBE.52 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))
- 11:05, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW LDA.64 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))
- 11:05, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW LDA.52 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))
- 11:05, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW LDA.54 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))
- 11:05, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW LDA.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> || 404.806 |- | Li_AE_GW || 3 |...", and the only contributor was "Wolloch" (talk))
- 11:05, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW LDA.54 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> || 404.806 |- | Li_AE_GW || 3 |...", and the only contributor was "Wolloch" (talk))
- 11:05, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW PBE.54 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))
- 11:04, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW LDA.52 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> || 404.806 |- | Li_AE_GW || 3 |...", and the only contributor was "Wolloch" (talk))
- 11:04, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW PBE.52 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))
- 11:03, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW PBE.54 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))
- 11:03, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW PBE.64 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_GW_new || 1 || <math>1s^{1}</math> || 536.615 |- | H_h_GW || 1 || <math>1s^{1}</math> || 700.0 |- | He_GW || 2 |...", and the only contributor was "Wolloch" (talk))
- 11:02, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW PW91 (2006) potentials for occupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! ENAMX [eV] |- | H || 1 || 250.0 |- | H.5 || 0.5 || 250.0 |- | H.75 || 0.75 || 250.0 |- | H1.25 || 1.25 || 250.0 |- | H1.5 || 1.5 || 250.0 |- | H_h || 1 || 700.0...", and the only contributor was "Wolloch" (talk))
- 11:02, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW LDA (2010) potentials for unoccupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! ENAMX [eV] |- | H_GW || 1 || 400.725 |- | H_h_GW || 1 || 822.759 |- | H_nc_GW || 1 || 1000.0 |- | He_GW || 2 || 404.806 |- | Li_AE_GW || 3 || 433.253 |- | Li_AE_GW...", and the only contributor was "Wolloch" (talk))
- 11:02, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW LDA (2010) potentials for occupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! ENAMX [eV] |- | Free || 0 || 250.0 |- | H || 1 || 250.0 |- | H.25 || 0.25 || 419.126 |- | H.33 || 0.33 || 250.0 |- | H.5 || 0.5 || 250.0 |- | H.66 || 0.66 || 250.4...", and the only contributor was "Wolloch" (talk))
- 11:02, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW PBE (2010) potentials for occupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! ENAMX [eV] |- | H || 1 || 250.0 |- | H.5 || 0.5 || 250.0 |- | H.75 || 0.75 || 250.0 |- | H1.25 || 1.25 || 250.0 |- | H1.5 || 1.5 || 250.0 |- | H_h || 1 || 700.0...", and the only contributor was "Wolloch" (talk))
- 11:01, 8 February 2024 Huebsch talk contribs deleted page Construction:Available PAW PBE (2010) potentials for unoccupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! ENAMX [eV] |- | C_GW || 4 || 413.992 |- | N_s_GW || 5 || 296.495 |- | O_GW || 6 || 414.635 |- | O_s_GW || 6 || 300.688 |- | F_d_GW || 7 || 487.698 |- | Mg_pv_GW ||...", and the only contributor was "Wolloch" (talk))
- 11:01, 8 February 2024 Huebsch talk contribs deleted page Construction:List of all DFT-PAW potentials (content was: "The following list contains all DFT-PAW pseudopotentials except hydrogen like potentials with fractional valence. {| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Electronic Configuration !! ENAMX [eV] |- | H || 1 || <math>1s^{1}</math> || 250.0 |- | H_AE || 1 || <math>1s^{1}</math> || 100...", and the only contributor was "Wolloch" (talk))
- 11:01, 8 February 2024 Huebsch talk contribs deleted page Construction:List of all GW-PAW potentials (content was: "This list contains all PAW potentials optimized for correlated electron calculations. {| class="wikitable sortable mw-collapsible mw-collapsed" | colspan="4" style="text-align:center"| PAW potentials optimized for calculations involving unoccupied bands |- ! Potential name !! Number of valence electrons !! Electronic Configuration !...", and the only contributor was "Wolloch" (talk))
- 10:39, 8 February 2024 Huebsch talk contribs created page LEXCH (Created page with "{{TAGDEF|LEXCH|[string]}} {{TAGDEF|LEXCH|CA.OR.PBE}} {{DEF| LEXCH |CA|for LDA pseudopotentials|PE|for GGA pseudopotentials}} Definition: Set the default exchange-correlation functional. ----- The functional specified by {{TAG|LEXCH}} was used as a reference when the PAW potential was created. The transferability of PAW potentials to other exchange-correlation functionals is quite well. So, the functional used during the calculation can be freely adjusted (de...")
- 10:17, 8 February 2024 Huebsch talk contribs created page POTCAR tag (Redirected page to Category:POTCAR tag) Tag: New redirect
- 10:11, 8 February 2024 Huebsch talk contribs created page Category:POTCAR tag (Created page with "The {{FILE|POTCAR}} file contains the pseudopotentials. The settings it contains should not be edited by the user, but it sometimes helps to understand their meaning. Below is a list of '''POTCAR tags'''. Category:Pseudopotentials")
- 07:28, 7 February 2024 Huebsch talk contribs created page POT (Created page with "The {{FILE|POT}} file contains the local potential (in eV), including the augmentation part. It is written if {{TAG|LVTOT}}=T, and it can be used to restart a calculation that requires the local potential as a restart quantity, e.g., for the optimized effective potential (OEP) method. For {{TAG|LVTOT}}=T and {{TAG|LH5}}=T, the content of the {{FILE|POT}} file is written to the restart file {{FILE|vaspwave.h5}} instead. If you are interested in the local potential as a...")
- 15:21, 6 February 2024 Huebsch talk contribs created page Makefile.include.aocc ompi aocl omp (Created page with "{{DISPLAYTITLE:makefile.include.aocc_ompi_aocl_omp}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxGNU\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dfock_dblbuf \ -D_OPENMP CPP = flang -E -ffree-form -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP...")
- 15:19, 6 February 2024 Huebsch talk contribs created page Makefile.include.aocc ompi aocl (Created page with "<pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxGNU\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dfock_dblbuf CPP = flang -E -ffree-form -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS) FC = mpif90 FCL = mpif90 FREE = -ffree-form...")
- 14:54, 6 February 2024 Huebsch talk contribs created page Makefile.include.oneapi omp (Created page with "{{DISPLAYTITLE:makefile.include.oneapi_omp}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxIFC\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dfock_dblbuf \ -D_OPENMP CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS)...")
- 14:51, 6 February 2024 Huebsch talk contribs created page Makefile.include.oneapi (Created page with "{{DISPLAYTITLE:makefile.include.oneapi}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxIFC\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dfock_dblbuf CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS) FC = mpiifort -fc=ifx...")
- 09:45, 6 February 2024 Huebsch talk contribs deleted page VACPOTAV (content was: "#REDIRECT LVACPOTAV", and the only contributor was "Svijay" (talk))
- 09:42, 6 February 2024 Huebsch talk contribs created page WRT POTENTIAL (Created page with "{{TAGDEF|WRT_POTENTIAL|string|None}} {{DISPLAYTITLE:WRT_POTENTIAL}} Description: Select the potential to be written as a post-processing. ---- {{TAG|WRT_POTENTIAL}} can select one or multiple local potentials on the real-space grid in the unit cell to be written, e.g., {{TAGBL|WRT_POTENTIAL}} = total or {{TAGBL|WRT_POTENTIAL}} = hartree ionic The output is written to {{FILE|vaspout.h5}} and can be accessed either by py4vasp or HDF5 command-line tools (h5ls, h5dump)....")
- 06:48, 1 February 2024 Huebsch talk contribs created page Dielectric properties (Redirected page to Category:Dielectric properties) Tag: New redirect
- 11:28, 31 January 2024 Huebsch talk contribs moved page Construction:LWRITE SPN to LWRITE SPN without leaving a redirect
- 11:23, 31 January 2024 Huebsch talk contribs moved page Construction:Category:Dielectric properties to Category:Dielectric properties without leaving a redirect
- 11:23, 31 January 2024 Huebsch talk contribs deleted page Category:Dielectric properties (Deleted to make way for move from "Construction:Category:Dielectric properties")
- 10:36, 31 January 2024 Huebsch talk contribs created page Construction:LWRITE SPN (Created page with "{{TAGDEF|LWRITE_SPN|.TRUE. {{!}} .FALSE.|.FALSE.}} {{DISPLAYTITLE:LWRITE_SPN}} Description: Write '''wannier90.spn''' file for noncollinear calculations. ---- For noncollinear calculations ({{TAG|LNONCOLLINEAR}}=T using vasp_ncl) the '''wannier90.spn''' file is written when {{TAGBL|LWANNIER90}}=T ! switch on Wannier90 interface {{TAGBL|LWRITE_SPN}}=T The file is formatted, and the appropriate line (<code>spn_formatted = .true.</code>) is automatically added to...")
- 12:20, 3 January 2024 Huebsch talk contribs created page Minimal reproducible example (Created page with "A '''minimal reproducible example''' is a set of input and output files that allow a bug, problem, or result to be demonstrated and reproduced. A crucial point is that the '''minimal reproducible example''' should be as small and simple as possible. It is helpful to create a '''minimal reproducible example''' when reporting an issue to a colleague, supervisor, or on the [https://www.vasp.at/forum/ VASP forum], but also as a starting point to explore more options and fe...")
- 09:10, 14 November 2023 Huebsch talk contribs created page Symmetry (Redirected page to Category:Symmetry) Tag: New redirect
- 08:11, 13 November 2023 Huebsch talk contribs moved page Category:Thermodynamic integration with harmonic reference to Thermodynamic integration with harmonic reference without leaving a redirect
- 07:56, 13 November 2023 Huebsch talk contribs created page Mueller-Plathe method (Redirected page to Müller-Plathe method) Tag: New redirect
- 12:26, 12 November 2023 Huebsch talk contribs moved page IRC calculations to Intrinsic-reaction-coordinate calculations