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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).

09:32, 20 January 2022 Huebsch talk contribs created page Construction:Linking to libraries (Created page with "The link is specified by linker variables and then the linker is invoked as: $(FCL) -o vasp ..all-objects.. $(LLIBS) $(LINK) It is mandatory to link VASP to a library for F...")
16:43, 19 January 2022 Huebsch talk contribs created page Construction:Installing VASP.6.X.X (Created page with "As a [https://vasp.at| license holder], you can download the source code of VASP from the [https://vasp.at| VASP Portal]. If your system fulfills the #Requirements | require...")
16:28, 19 January 2022 Huebsch talk contribs created page Construction:Compiler options (Created page with "The compiler options specify by compiler variables that set the compiler and compiler flags you want to use. The Fortran compiler will then be invoked as: $(FC) $(FREE) $(FF...")
15:03, 19 January 2022 Huebsch talk contribs created page Construction:Precompiler options (Created page with "Precompiler flags are used to activate/deactivate certain code features at the time of compilation, e.g., the use of MPI. Many precompiler flags are set by default in the ma...")
14:55, 19 January 2022 Huebsch talk contribs created page Construction:Makefile.include (Created page with "{{DISPLAYTITLE:makefile.include}} Writing a <code>makefile.include</code> file from scratch is not easy, so we suggest taking one of [[#Archetypical files|archetypical files]...")
10:08, 19 January 2022 Huebsch talk contribs moved page Construction:PROCAR OPT to PROCAR OPT without leaving a redirect
10:05, 19 January 2022 Huebsch talk contribs moved page Construction:LKPOINTS OPT to LKPOINTS OPT without leaving a redirect
09:56, 19 January 2022 Huebsch talk contribs moved page Construction:KPOINTS OPT to KPOINTS OPT without leaving a redirect
07:58, 19 January 2022 Huebsch talk contribs created page Makefile.include.fujitsu a64fx (Created page with "{{DISPLAYTITLE:makefile.include.fujitsu_a64fx}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"FJ-A64FX\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \...")
07:58, 19 January 2022 Huebsch talk contribs created page Makefile.include.nvhpc ompi mkl omp acc (Created page with "{{DISPLAYTITLE:makefile.include.nvhpc_ompi_mkl_omp_acc}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxNV\" \ -DMPI -DMPI_BLOCK=8000 -Duse_coll...")
07:56, 19 January 2022 Huebsch talk contribs created page Makefile.include.nvhpc ompi mkl omp (Created page with "{{DISPLAYTITLE:makefile.include.nvhpc_ompi_mkl_omp}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxNV\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collecti...")
07:55, 19 January 2022 Huebsch talk contribs created page Makefile.include.nvhpc omp acc (Created page with "{{DISPLAYTITLE:makefile.include.nvhpc_omp_acc}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxNV\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \...")
07:53, 19 January 2022 Huebsch talk contribs created page Makefile.include.nvhpc omp (Created page with "{{DISPLAYTITLE:makefile.include.nvhpc_omp}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxNV\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \...")
07:52, 19 January 2022 Huebsch talk contribs created page Makefile.include.nvhpc acc (Created page with "{{DISPLAYTITLE:makefile.include.nvhpc_acc}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxNV\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \...")
07:50, 19 January 2022 Huebsch talk contribs created page Makefile.include.nvhpc (Created page with "{{DISPLAYTITLE:makefile.include.nvhpc}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxNV\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \...")
07:48, 19 January 2022 Huebsch talk contribs created page Makefile.include.nec aurora (Created page with "{{DISPLAYTITLE:makefile.include.nec_aurora}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"SXAurora\" \ -D__NEC__ \ -D__NEC_TUNE__ \...")
07:47, 19 January 2022 Huebsch talk contribs created page Makefile.include.intel serial (Created page with "{{DISPLAYTITLE:makefile.include.intel_serial}} <pre> # Precompiler options CPP_OPTIONS = -DHOST=\"LinuxIFC\"\ -DCACHE_SIZE=4000 \ -Davoidalloc \...")
07:45, 19 January 2022 Huebsch talk contribs created page Makefile.include.intel ompi mkl omp (Created page with "{{DISPLAYTITLE:makefile.include.intel_ompi_mkl_omp}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxIFC\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collect...")
07:43, 19 January 2022 Huebsch talk contribs created page Makefile.include.intel omp (Created page with "{{DISPLAYTITLE:makefile.include.intel_omp}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxIFC\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \...")
07:42, 19 January 2022 Huebsch talk contribs created page Makefile.include.intel (Created page with "{{DISPLAYTITLE:makefile.include.intel}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxIFC\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \...")
07:40, 19 January 2022 Huebsch talk contribs created page Makefile.include.gnu ompi mkl omp (Created page with "{{DISPLAYTITLE:makefile.include.gnu_ompi_mkl_omp}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxGNU\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collecti...")
07:36, 19 January 2022 Huebsch talk contribs created page Makefile.include.gnu ompi aocl omp (Created page with "{{DISPLAYTITLE:makefile.include.gnu_ompi_aocl_omp}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxGNU\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collecti...")
07:34, 19 January 2022 Huebsch talk contribs created page Makefile.include.gnu ompi aocl (Created page with "{{DISPLAYTITLE:makefile.include.gnu_ompi_aocl}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxGNU\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \...")
07:32, 19 January 2022 Huebsch talk contribs created page Makefile.include.gnu omp (Created page with "{{DISPLAYTITLE:makefile.include.gnu_omp}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxGNU\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \...")
07:31, 19 January 2022 Huebsch talk contribs created page Makefile.include.gnu (Created page with "{{DISPLAYTITLE:makefile.include.gnu}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxGNU\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \...")
07:28, 19 January 2022 Huebsch talk contribs created page Makefile.include.fujitsu a64fx omp (Created page with "{{DISPLAYTITLE:makefile.include.fujitsu_a64fx_omp}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"FJ-A64FX\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collecti...")
08:44, 17 January 2022 Huebsch talk contribs created page Construction:LKPOINTS WAN (Created page with "{{TAGDEF|LKPOINTS_WAN|.TRUE.{{!}} .FALSE.}} {{DEF|LKPOINTS_WAN|.TRUE.|if {{FILE|KPOINTS_WAN}} file is present.}} Description: {{TAG| LKPOINTS_WAN}} controlls whether VASP rea...")
08:29, 17 January 2022 Huebsch talk contribs created page Construction:KPOINTS WAN (Created page with "{{FILE|KPOINTS_WAN}} is an optional input file to obtain eigenstates and eigenenergies at the specified '''k''' points from Category:Wannier Functions. The format is the s...")
07:45, 17 January 2022 Huebsch talk contribs deleted page TAG (Author request: content was: "{{TAGDEF|LIBXC2|[integer] or [string]}} Description: LIBXC2 specifies the correlation functional from the library of exchange-correlation functionals Libxc{{cite|marques:cpc:2012}}{{cite|lehtola:sx:2018}}{{cite|libxc}} that one wants to use. ---- LIBXC2 can be either integers or strings. A detailed explanation can be foun == Related Tags and Sections == {{TAG|LIBX...", and the only contributor was "Ftran" ([[User...)
16:19, 10 January 2022 Huebsch talk contribs created page Construction:LTRIPLET (Created page with "{{TAGDEF|LTRIPLET|.TRUE. {{!}} .FALSE.}} {{DEF|LTRIPLET|.FALSE.|}} Description: {{TAG|LTRIPLET}} selects a triplet ansatz for Bethe-Salpether-Equation (BSE) calculations. ---...")
08:33, 10 January 2022 Huebsch talk contribs created page Construction:PROCAR OPT (Created page with "The {{FILE|PROCAR_OPT}} file is written when the {{FILE|KPOINTS_OPT}} feature is used. It has the same format as the {{FILE|PROCAR}} file, but contains information at the '''k...")
08:25, 10 January 2022 Huebsch talk contribs created page Construction:LKPOINTS OPT (Created page with "{{TAGDEF|LKPOINTS_OPT|.TRUE.{{!}} .FALSE.}} {{DEF|LKPOINTS_OPT|.TRUE.|if {{FILE|KPOINTS_OPT}} file is present.}} Description: {{TAG| LKPOINTS_OPT}} controlls whether VASP rea...")
08:14, 10 January 2022 Huebsch talk contribs created page Construction:KPOINTS OPT (Created page with "{{FILE|KPOINTS_OPT}} is an optional input file to perform an additional one-shot calculation after convergence. It has the same format as the {{FILE|KPOINTS}} file and is read...")
13:58, 5 January 2022 Huebsch talk contribs deleted page LIBXC1 (Author request: content was: "{{TAGDEF|LIBXC1|[integer] or [string]}} Description: {{TAG|LIBXC1}} and LIBXC2 specify the functionals from the library of exchange-correlation functionals Libxc {{cite|marques:cpc:2012}}{{cite|lehtola:sx:2018}} that one wants to use. ---- {{TAG|LIBXC1}} and LIBXC2 can be either integers or strings. The available functionals are listed on the Libxc website<re...", and the only contributor was "Ftran" ([[User...)
17:33, 20 December 2021 Huebsch talk contribs created page WANNIER90 WIN (Created page with "{{TAGDEF|WANNIER90_WIN|[string]}} {{DEF|WANNIER90_WIN|None|}} Description: {{TAG|WANNIER90_WIN}} sets the content of the '''wannier90.win''' file. ---- The {{TAG|WANNIER90_W...")
13:14, 20 December 2021 Huebsch talk contribs deleted page Cunstruction:LIBXC1 (content was: "{{TAGDEF|MYTAG|-1 {{!}} 0 {{!}} 1}} {{DEF|MYTAG|0|for VASP.X.X and older|1|else (if {{TAG|MYTAG}} is not set)}} Description: {{TAG|MYTAG}} sets/selects ... {{NB| mind | Pay attention to ''common pitfall'' and the interplay with {{TAG|MYOTHER}}.}} ---- ==First section== *{{TAG|MYTAG}}=-1: Algorithm name {{NB| deprecated | This functionality is not supported in VASP version...", and the only contributor was "Huebsch" (talk))
13:14, 20 December 2021 Huebsch talk contribs created page Cunstruction:LIBXC1 (Created page with "{{TAGDEF|MYTAG|-1 {{!}} 0 {{!}} 1}} {{DEF|MYTAG|0|for VASP.X.X and older|1|else (if {{TAG|MYTAG}} is not set)}} Description: {{TAG|MYTAG}} sets/selects ... {{NB| mind | Pay a...")
16:43, 15 December 2021 Huebsch talk contribs created page Construction:LSCDM (Created page with "{{TAGDEF|LSCDM|.TRUE. {{!}} .FALSE. }} {{DEF|LSCDM|.FALSE.|}} Description: {{TAG|LSCDM}} switches on the selected-columns-of-the-density-matrix (SCDM) method. ---- The SCD...")
11:10, 7 June 2021 Huebsch talk contribs moved page Machine learning force field calculations: Intermediate to Construction:Machine learning force field calculations: Intermediate
06:49, 29 March 2021 Huebsch talk contribs created page Construction:My theory review (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==...")
03:54, 29 March 2021 Huebsch talk contribs uploaded a new version of File:Color palette.png
14:23, 25 March 2021 Huebsch talk contribs moved page Construction:Tag documentation template to Construction:MYTAG
14:19, 25 March 2021 Huebsch talk contribs created page Construction:Tag documentation template (Created page with "{{TAGDEF|MYTAG|-1 {{!}} 0 {{!}} 1}} {{DEF|MYTAG|0|for VASP.X.X and older|1|else (if {{TAG|MYTAG}} is not set)}} Description: {{TAG|MYTAG}} sets/selects ... '''Mind''': Pay a...")
10:03, 24 March 2021 Huebsch talk contribs moved page Construction:Wiki Style Guide to Construction:Wiki style guide
16:38, 23 March 2021 Huebsch talk contribs created page Template:VASP (Created page with "<font style="font-variant: small-caps">vasp</font>")
15:42, 23 March 2021 Huebsch talk contribs created page Template:Citation needed (Created page with "<sup>''https://en.wikipedia.org/wiki/Template:Citation_needed citation needed''</sup>")
13:38, 23 March 2021 Huebsch talk contribs created page File:Color palette.png (Color palette used for VASP related material.)
13:38, 23 March 2021 Huebsch talk contribs uploaded File:Color palette.png (Color palette used for VASP related material.)
10:47, 18 March 2021 Huebsch talk contribs moved page Construction:Style-guide to Construction:Wiki Style Guide
14:40, 15 March 2021 Huebsch talk contribs created page Construction:TODO (Created page with "Feel free to add to do's related to the VASP Wiki and the workshop to the corresponding section.")