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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).
- 13:53, 6 April 2022 Ftran talk contribs created page LSCALER0 (Created page with "{{TAGDEF|LSCALER0|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAGDEF|LSCALER0}} decides whether to compute gradients in the calculation of the MBD dispersion energy. ----...")
- 12:51, 6 April 2022 Singraber talk contribs created page Construction:POSCAR (Created page with "This file contains the lattice geometry and the ionic positions, optionally also starting velocities and predictor-corrector coordinates for a MD-run. The usual format is: Cu...")
- 12:46, 6 April 2022 Singraber talk contribs moved page Linking gfortran with Intel MKL to Construction:Linking gfortran with Intel MKL
- 12:45, 6 April 2022 Singraber talk contribs moved page A CentOS based installation of VASP to Construction:A CentOS based installation of VASP
- 12:45, 6 April 2022 Singraber talk contribs moved page A Fedora based installation of VASP to Construction:A Fedora based installation of VASP
- 12:45, 6 April 2022 Singraber talk contribs moved page A Ubuntu based installation of VASP to Construction:A Ubuntu based installation of VASP
- 12:32, 6 April 2022 Kaltakm talk contribs created page CRPA (Redirected page to Constrained random phase approximation) Tag: New redirect
- 12:32, 6 April 2022 Singraber talk contribs moved page A Debian based installation of VASP to Construction:A Debian based installation of VASP
- 12:29, 6 April 2022 Kaltakm talk contribs created page Construction:Constrained random phase approximation (Created page with "Give a short introduction stating the motivation and general concepts inherent to the presented theory. Then, summarize the content of the article briefly. ==First section==...")
- 11:12, 6 April 2022 Huebsch talk contribs moved page Harris Foulkes functional to Harris-Foulkes functional
- 10:18, 6 April 2022 Miranda.henrique talk contribs created page Construction:FOCKCORR (Created page with "{{TAGDEF|FOCKCORR|[integer]|1 or 2 if {{TAG|LMAXFOCKAE}}>0 }} Description: The tag {{TAG|FOCKCORR}} determines how the Coulomb convergence corrections are applied. ---- The...")
- 10:04, 6 April 2022 Karsai talk contribs undeleted page Metadynamics (7 revisions)
- 10:03, 6 April 2022 Karsai talk contribs deleted page Metadynamics (Content merged into Category:Metadynamics)
- 09:55, 6 April 2022 Huebsch talk contribs moved page Talk:Electronic minimization to Category talk:Electronic minimization
- 09:55, 6 April 2022 Huebsch talk contribs moved page Electronic minimization to Category:Electronic minimization
- 09:55, 6 April 2022 Huebsch talk contribs moved page Category talk:Electronic Minimization to Talk:Electronic minimization without leaving a redirect
- 09:55, 6 April 2022 Huebsch talk contribs moved page Category:Electronic Minimization to Electronic minimization without leaving a redirect
- 09:52, 6 April 2022 Huebsch talk contribs deleted page Category:Input Files (content was: "#REDIRECT Category:Input files", and the only contributor was "Huebsch" (talk))
- 08:24, 6 April 2022 Ftran talk contribs moved page Category talk:XC Functionals to Category talk:Exchange-correlation functionals
- 08:24, 6 April 2022 Ftran talk contribs moved page Category:XC Functionals to Category:Exchange-correlation functionals
- 08:21, 6 April 2022 Huebsch talk contribs moved page Category:Input Files to Category:Input files
- 08:21, 6 April 2022 Huebsch talk contribs deleted page Category:Input files (Deleted to make way for move from "Category:Input Files")
- 08:05, 6 April 2022 Schlipf talk contribs created page Construction:Parallelization (Created page with "For many complex problems, a single core is not enough to finish the calculation in a reasonable time. VASP makes use of parallel machines splitting the calculation into many...")
- 08:02, 6 April 2022 Huebsch talk contribs moved page Input files to Category:Input files
- 08:02, 6 April 2022 Huebsch talk contribs created page Input files (Created page with "As a minimal setup, VASP requires the user to prepare the following input files: {{FILE|INCAR}}, {{FILE|KPOINTS}}, {{FILE|POSCAR}}, and {{FILE|POTCAR}}. If present (in the d...")
- 07:59, 6 April 2022 Huebsch talk contribs moved page Category:Output Files to Category:Output files
- 07:59, 6 April 2022 Huebsch talk contribs deleted page Category:Output files (Deleted to make way for move from "Category:Output Files")
- 07:57, 6 April 2022 Huebsch talk contribs moved page Output files to Category:Output files
- 07:57, 6 April 2022 Huebsch talk contribs created page Output files (Created page with "The main output file of VASP is the {{FILE|OUTCAR}}. The {{FILE|vasprun.xml}} contains similar information but in an xml format. The {{FILE|OSZICAR}} file contains the total...")
- 07:52, 6 April 2022 Huebsch talk contribs moved page Calculation setup to Category:Calculation setup
- 07:52, 6 April 2022 Huebsch talk contribs created page Calculation setup (Created page with "After the installation, VASP can be executed in a directory. In this directory, VASP looks for input files such as the {{F...")
- 07:20, 6 April 2022 Huebsch talk contribs moved page Theory to Category:Theory
- 07:20, 6 April 2022 Huebsch talk contribs deleted page Category:Theory (Deleted to make way for move from "Theory")
- 07:19, 6 April 2022 Huebsch talk contribs created page Theory (Created page with "The Vienna ab-initio simulation package (VASP) is a computer program for atomic scale materials modeling, e.g., electronic-structure calculations and :Category:Molecular dyn...")
- 16:23, 5 April 2022 Kaltakm talk contribs created page GW method (Redirected page to GW approximation of Hedin's equations) Tag: New redirect
- 16:19, 5 April 2022 Kaltakm talk contribs deleted page Low scaling ACFDT/RPA and GW algorithms (content was: "{{Category:Low-scaling GW and RPA}}", and the only contributor was "Kaltakm" (talk))
- 16:18, 5 April 2022 Kaltakm talk contribs deleted page Memory requirements of low-scaling GW and RPA algorithms (content was: " The cubic scaling space-time RPA as well as GW algorithm require considerably more memory than the correspondong quartic-scaling implementations, two Green's functions <math>G({\bf r,r'},i\tau_n)</math> have to be stored in real-space. To reduce the memory overhead, VASP exploits Fast Fourier Transformations (FFT) to avoid storage of the matrices on the (larger) real space grid, on the one hand. The precision of the FFT can be selected with {{TAG|PRECFOCK}}, where usually the...")
- 16:04, 5 April 2022 Huebsch talk contribs deleted page References (content was: "{{cite|all}}", and the only contributor was "Schlipf" (talk))
- 12:48, 5 April 2022 Huebsch talk contribs deleted page MAchine learning force field calculations: Important algorithms (content was: "#REDIRECT Machine learning force field calculations: Important algorithms", and the only contributor was "Karsai" (talk))
- 18:28, 1 April 2022 Huebsch talk contribs deleted page Converge magnetic calculations (content was: "Hence, if you have problems to converge to a desired magnetic solution, try to calculate first the non magnetic groundstate, and continue from the generated {{TAG|WAVECAR}} and {{TAG|CHGCAR}} file. For the continuation job, you need to set {{TAG|ISPIN}} {{=}} 2 {{TAG|ICHARG}} {{=}} 1 in the {{TAG|INCAR}} file.", and the only contributor was "Schlipf" (talk))
- 15:47, 1 April 2022 Huebsch talk contribs moved page Density Mixing to Category:Density Mixing
- 15:47, 1 April 2022 Huebsch talk contribs deleted page Category:Density Mixing (Deleted to make way for move from "Density Mixing")
- 14:46, 1 April 2022 Huebsch talk contribs moved page Wannier Functions to Category:Wannier Functions
- 14:46, 1 April 2022 Huebsch talk contribs deleted page Category:Wannier Functions (Deleted to make way for move from "Wannier Functions")
- 14:42, 1 April 2022 Huebsch talk contribs created page Wannier Functions (Created blank page)
- 08:05, 30 March 2022 Schlipf talk contribs created page Construction:EFERMI (Created page with "{{TAGDEF|EFERMI|MIDGAP {{!}} LEGACY {{!}} [real]|MIDGAP}} Description: Defines how the Fermi energy is calculated in VASP. ---- For semiconducting materials, the Fermi ener...")
- 14:06, 21 March 2022 Ftran talk contribs created page VDW R0AU (Created page with "{{DISPLAYTITLE:VDW_R0AU}} {{TAGDEF|VDW_R0AU|[real (array)]}} Description: {{TAG|VDW_R0AU}} defines the <math>R_0</math> parameters (bohr) for each species defined in the {{TA...")
- 14:05, 21 March 2022 Ftran talk contribs created page VDW C6AU (Created page with "{{DISPLAYTITLE:VDW_C6AU}} {{TAGDEF|VDW_C6AU|[real (array)]}} Description: {{TAG|VDW_C6}} defines the <math>C_6</math> parameters (<math>\mathrm{Jnm}^{6}\mathrm{mol}^{-1}</mat...")
- 13:41, 21 March 2022 Ftran talk contribs created page VDW ALPHA (Created page with "{{TAGDEF|VDW_ALPHA|[real (array)]}} Description: {{TAG|VDW_ALPHA}} defines the polarizability <math>\alpha_0</math> (bohr<math>^{3}</math>) for each species defined in the {{...")
- 08:28, 17 March 2022 Kresse talk contribs created page NTEMPER (Created page with "{{TAGDEF|NTEMPER|[integer]| 200}} Description: {{TAG|NTEMPER}} specified how often temperature swaps are attempted during parallel tempering. The flag must be used in combina...")