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).
- 10:03, 11 March 2025 Huebsch talk contribs moved page Stdout to Terminal output
- 10:02, 11 March 2025 Huebsch talk contribs moved page Standard output to Stdout
- 10:02, 11 March 2025 Huebsch talk contribs moved page Screen output to Standard output
- 10:01, 11 March 2025 Huebsch talk contribs moved page Construction:Screen output to Screen output without leaving a redirect
- 09:57, 11 March 2025 Huebsch talk contribs moved page Construction:Setting up a DFT calculation to Setting up an electronic minimization without leaving a redirect
- 09:10, 11 March 2025 Vaspmaster talk contribs created page Talk:Changelog (Created page with "== 6.5.1 == <div id="Changelog651" style="display:inline;"></div> === FEATURE === === IMPROVEMENT === === BUGFIX ===")
- 11:25, 10 March 2025 Huebsch talk contribs created page Projector-augmented wave (Redirected page to Category:Projector-augmented-wave method) Tag: New redirect
- 09:31, 10 March 2025 Csheldon talk contribs moved page Hyperfine coupling calculations to Calculating the hyperfine coupling constant
- 09:31, 10 March 2025 Csheldon talk contribs moved page Construction:NMR to Calculating the chemical shieldings
- 09:30, 10 March 2025 Csheldon talk contribs moved page Construction:Calculating the electric field gradient to Calculating the electric field gradient
- 09:30, 10 March 2025 Csheldon talk contribs moved page Construction:Calculating the magnetic susceptibility to Calculating the magnetic susceptibility
- 09:30, 10 March 2025 Csheldon talk contribs moved page Construction:Hyperfine coupling calculations to Hyperfine coupling calculations
- 12:46, 7 March 2025 Huebsch talk contribs created page NMR (Redirected page to Category:NMR) Tag: New redirect
- 12:40, 7 March 2025 Csheldon talk contribs created page Construction:Calculating the magnetic susceptibility (Created page with "It is possible to calculate the magnetic susceptibility. The theory is covered in the NMR category page and {{TAG|LCHIMAG}}. For all calculations, tighter convergence settings than typical are required, e.g., for a structure relaxation. No additional files are required besides the four standard {{FILE|POSCAR}}, {{FILE|POTCAR}}, {{FILE|INCAR}}, and {{FILE|KPOINTS}}, unless specifically mentioned. The magnetic susceptibility is calculated po...")
- 12:37, 7 March 2025 Csheldon talk contribs created page Construction:Calculating the electric field gradient (Created page with "It is possible to calculate the electric field gradient (EFG). The theory is covered in the NMR category page and {{TAG|LEFG}}. For all calculations, tighter convergence settings than typical are required, e.g. for a structure relaxation. No additional files are required besides the four standard {{FILE|POSCAR}}, {{FILE|POTCAR}}, {{FILE|INCAR}}, and {{FILE|KPOINTS}}, unless specifically mentioned. It is important to have a well-converged stru...")
- 11:23, 7 March 2025 Huebsch talk contribs created page Nuclear magnetic resonance (Redirected page to Category:NMR) Tag: New redirect
- 11:14, 7 March 2025 Huebsch talk contribs deleted page Category:Chemical shifts (content was: "Nuclei with spin I > 0 have magnetic dipole moments. When placed in an external magnetic field '''B'''''<sub>ext</sub>'', they precess at a frequency ''ω<sub>L</sub>'' proportional to '''B'''''<sub>ext</sub>'': :<math> \omega_L = \gamma \textbf{B}_{ext} </math> where ''γ'' is the constant of proportionality, the gyromagnetic ratio of the nucleus. The nucleus is surrounded by electrons. Since electrons are charged, the external magnetic field induces a current, causing t...")
- 11:14, 7 March 2025 Huebsch talk contribs deleted page Construction:Category:Electric-field gradient (content before blanking was: "")
- 11:13, 7 March 2025 Huebsch talk contribs deleted page Construction:LWRTCUR (content was: "{{TAGDEF|LWRTCUR|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: The {{TAG|LWRTCUR}} prints the electronic current out to {{TAG|JCARBX}}, {{TAG|JCARBY}}, and {{TAG|JCARBZ}}. ---- If {{TAG|LCHIMAG}}=.TRUE., the electronic current is calculated, which is requried for the chemical shieldings. However, they are not stored by default. When {{TAG|LWRTCUR}}=.TRUE., the electronic c...", and the only contributor was "Csheldon" (talk))
- 11:12, 7 March 2025 Huebsch talk contribs deleted page Construction:JCARBX (content was: "The {{FILE|JCARBX}} file stores the current in the <math>x</math>-, <math>y</math>-, and <math>z</math>-directions with a perturbation along a magnetic field in the <math>x</math>-direction. == Format == The {{FILE|JCARBX}} consists of the following blocks. It follows the structure of the {{FILE|CHGCAR}} format: * Structure in {{FILE|POSCAR}} format * FFT-grid dimensions...", and the only contributor was "Csheldon" (talk))
- 11:10, 7 March 2025 Huebsch talk contribs moved page Construction:WRT NMRCUR to WRT NMRCUR without leaving a redirect
- 11:09, 7 March 2025 Huebsch talk contribs moved page Construction:NMRCURBZ to NMRCURBZ without leaving a redirect
- 11:08, 7 March 2025 Huebsch talk contribs moved page Construction:NMRCURBY to NMRCURBY without leaving a redirect
- 11:08, 7 March 2025 Huebsch talk contribs moved page Construction:NMRCURBX to NMRCURBX without leaving a redirect
- 11:06, 7 March 2025 Huebsch talk contribs moved page Template:Elph release to Template:Not released without leaving a redirect
- 10:50, 7 March 2025 Huebsch talk contribs created page Construction:NMRCURBZ (Created page with "#REDIRECT: NMRCURBX")
- 10:48, 7 March 2025 Huebsch talk contribs created page Construction:NMRCURBY (Created page with "#REDIRECT {{FILE|NMRCURBX}}")
- 10:47, 7 March 2025 Huebsch talk contribs created page Construction:NMRCURBX (Created page with "The {{FILE|NMRCURBX}} file contains the NMR current density in atomic units (hartree bohr<math>^2</math>). It is written if {{TAG|WRT_NMRCUR}} is set. The format is the same as {{FILE|CHGCAR}} with a header to define the grid and then 3 blocks that correspond to <math>j_x</math>, <math>j_y</math>, and <math>j_z</math>. == Related tags and articles == {{TAG|WRT_NMRCUR}}, {{TAG|LCHIMAG}}, {{TAG|LLRAUG}} Category:FilesCategory:Output filesCategory:NMR")
- 10:36, 7 March 2025 Huebsch talk contribs created page Construction:WRT NMRCUR (Created page with "{{TAGDEF|WRT_NMRCUR|0 {{!}} 1 {{!}} 2 {{!}} 3 {{!}} 4| 0 }} Description: Allows to write the NMR current response in atomic units to file. ---- In conjunction with {{TAGO|LCHIMAG|True}}, {{TAG|WRT_NMRCUR}} allows to write the current response on the fine grid {{TAG|NGXF}} x {{TAG|NGYF}} x {{TAG|NGZF}} in atomic units (hartree bohr<math>^{-2}</math>) to an external magnetic field within linear response NMR. The output is written to {{...")
- 10:04, 7 March 2025 Csheldon talk contribs created page Construction:NICS (Created page with "{{TAGDEF|INICS|0 {{!}} 1 {{!}} 2| 0}} Description: calculate the nucleus independent chemical shifts (NICS) by means of linear response. ---- *{{TAG|INICS}}=0 :NICS are not calculated *{{TAG|INICS}}=1 :NICS values are calculated at positions defined in POSNICS *{{TAG|INICS}}=2 :NICS values are calculated at the grid points defined by the FFT. ---- The chemical shielding tensor is defined as: :<math> \sigma_{ij}(\mathbf{R}) = - \frac{ \partial B^{\mathrm{in}}_i(\mathbf{R...")
- 14:57, 5 March 2025 Pmelo talk contribs uploaded a new version of File:EELS bulk Si BSE TDHF Q2 result.png
- 14:56, 5 March 2025 Pmelo talk contribs uploaded a new version of File:EELS bulk Si BSE TDHF Q1 result.png
- 14:52, 5 March 2025 Pmelo talk contribs uploaded a new version of File:EELS bulk Si DFT result.png
- 14:40, 5 March 2025 Pmelo talk contribs uploaded a new version of File:EELS bulk Si BSE TDHF Q1 py4vasp.png
- 14:37, 5 March 2025 Pmelo talk contribs uploaded a new version of File:EELS bulk Si DFT py4vasp.png
- 13:56, 5 March 2025 Pmelo talk contribs uploaded a new version of File:EELS bulk Si BSE TDHF Q2 result.png
- 13:44, 5 March 2025 Pmelo talk contribs uploaded a new version of File:EELS bulk Si BSE TDHF Q1 result.png
- 09:30, 3 March 2025 Wolloch talk contribs moved page Construction:Stdout to Construction:Screen output (stderr will also be printed on the screen)
- 15:16, 28 February 2025 Wolloch talk contribs created page File:GaAs zincblende py4vasp 2SC.png (2x2x2 Supercell of bulk zincblende GaAs. Created with py4vasp.)
- 15:16, 28 February 2025 Wolloch talk contribs uploaded File:GaAs zincblende py4vasp 2SC.png (2x2x2 Supercell of bulk zincblende GaAs. Created with py4vasp.)
- 14:01, 28 February 2025 Huebsch talk contribs moved page Construction:Electron-energy-loss-spectrum to Electron-energy-loss spectrum without leaving a redirect
- 13:59, 28 February 2025 Huebsch talk contribs moved page Category:Time-dependent density functional theory to Category:Time-dependent density-functional theory without leaving a redirect
- 13:58, 28 February 2025 Huebsch talk contribs created page Category:Time-dependent density functional theory (Created blank page) Tag: Visual edit: Switched
- 13:49, 28 February 2025 Wolloch talk contribs created page Construction:Stdout (Created page with "The standard output of VASP has several sections. Some examples for each are given below: === No of nodes, MPI ranks, OpenMP threads, and parallelization === The first output details rank, threading, and parallelization information. E.g with OpenMP threading: running 16 mpi-ranks, with 4 threads/rank, on 1 nodes distrk: each k-point on 4 cores, 4 groups distr: one band on 1 cores, 4 groups or without OpenMP thread...")
- 12:59, 28 February 2025 Schlipf talk contribs moved page K-point integration to Integrating over all orbitals (Preparation for refactoring)
- 12:14, 28 February 2025 Pmelo talk contribs uploaded a new version of File:EELS bulk Si BSE TDHF Q2 py4vasp.png
- 11:53, 28 February 2025 Pmelo talk contribs created page File:EELS bulk Si BSE TDHF Q1 py4vasp.png (py4vasp EELS plot at <math>\Gamma</math> for both BSE and TDHF.)
- 11:53, 28 February 2025 Pmelo talk contribs uploaded File:EELS bulk Si BSE TDHF Q1 py4vasp.png (py4vasp EELS plot at <math>\Gamma</math> for both BSE and TDHF.)
- 11:05, 28 February 2025 Pmelo talk contribs created page File:EELS bulk Si DFT py4vasp.png (py4vasp DFT EELS plot for the HOWTO page.)
- 11:05, 28 February 2025 Pmelo talk contribs uploaded File:EELS bulk Si DFT py4vasp.png (py4vasp DFT EELS plot for the HOWTO page.)
