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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).

08:08, 17 March 2022 Kresse talk contribs created page LTEMPER (Created page with "{{TAGDEF|LTEMPER|[logical]|.FALSE.}} Description: {{TAG|LTEMPER}} specified whether parallel tempering is used. The flag must be used in combination with {{TAG|IMAGES}}. --...")
09:13, 11 March 2022 Huebsch talk contribs deleted page Specific hybrid functionals (content was: "*PBE0 {{TAG|LHFCALC}} = .TRUE. :With the defaults: {{TAG|AEXX}}=0.25, {{TAG|AGGAX}}=1-{{TAG|AEXX}}=0.75, {{TAG|AGGAC}}=1.0 and {{TAG|ALDAC}}=1.0 :Using PBE {{FILE|POTCAR}} files or with the following additional entry in the {{FILE|INCAR}} file: {{TAG|GGA}} = PE *HSE03<ref name="heyd:jcp:03"/><ref name="heyd:jcp:04"/><ref name="heyd:jcp:06"/> {{TAG|LHFCALC}} = .TRUE. {{TAG|HFSCREEN}} = 0.3 :With the defaults: {{TAG|AEXX}}=0.25, {{TAG|AGGAX}}=1-{{TAG|AE...")
09:12, 11 March 2022 Huebsch talk contribs deleted page Hartree-Fock and HF/DFT hybrid functionals (content was: "== Hartree-Fock exchange == The non-local Hartree-Fock exchange energy, Ex, can be written as :<math> E_{\mathrm{x}}^{\mathrm{HF}}= -\frac{e^2}{2}\sum_{n\mathbf{k},m\mathbf{q}} f_{n\mathbf{k}} f_{m\mathbf{q}} \times \int\int d^3\mathbf{r} d^3\mathbf{r}' \frac{\psi_{n\mathbf{k}}^{*}(\mathbf{r})\psi_{m\mathbf{q}}^{*}(\mathbf{r}') \psi_{n\mathbf{k}}(\ma...", and the only contributor was "Mmars" (talk))
12:57, 10 March 2022 Ftran talk contribs moved page Downsampling of Hartree-Fock operator to Downsampling of the Hartree-Fock operator
12:39, 10 March 2022 Ftran talk contribs moved page Downsampling to Downsampling of Hartree-Fock operator
12:33, 10 March 2022 Ftran talk contribs created page Downsampling (Created page with " === Downsampling === Consider the description of a certain bulk system, using a supercell made up of <math>N</math> primitive cells, in such a...")
12:27, 10 March 2022 Ftran talk contribs created page List of hybrid functionals (Created page with "*PBE0 {{TAG|LHFCALC}} = .TRUE. :With the defaults: {{TAG|AEXX}}=0.25, {{TAG|AGGAX}}=1-{{TAG|AEXX}}=0.75, {{TAG|AGGAC}}=1.0 and {{TAG|ALDAC}}=1.0 :Using PBE {{FILE|POTCAR}} fi...")
14:08, 4 February 2022 Huebsch talk contribs created page 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. * VASP cannot be compiled with the Fujitsu compiler....")
12:08, 1 February 2022 Tal talk contribs created page WPLASMAI (Created page with "{{TAGDEF|WPLASMAI|[real]|0}} Description: {{TAG|WPLASMAI}} sets the imaginary part of plasma frequency in eV. ---- If {{TAG|WPLASMAI}}>0 the Drude term is added to the densit...") Tag: Visual edit: Switched
10:30, 21 January 2022 Ftran talk contribs created page CPARAM (Created page with "{{TAGDEF|CPARAM|[real]|0.0093}} Description: The flag {{TAG|CPARAM}} allows to specify the value of the parameter <math>C</math> in the kernel of the non-local rVV10 correlat...")
09:51, 21 January 2022 Ftran talk contribs created page BPARAM (Created page with "{{TAGDEF|BPARAM|[real]|6.3}} Description: The flag {{TAG|BPARAM}} allows to specify the value of the parameter <math>b</math> in the kernel of the non-local rVV10 correlation...")
13:48, 20 January 2022 Huebsch talk contribs moved page Construction:LSCDM to LSCDM
13:14, 20 January 2022 Huebsch talk contribs moved page Construction:Makefile.include to Makefile.include without leaving a redirect
11:49, 20 January 2022 Huebsch talk contribs deleted page Makefile.include.linux pgi acc (content was: "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxPGI\" \ -DMPI -DMPI_BLOCK=8000 -DMPI_INPLACE -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dqd_emulate \ -Dfock_dblbuf \ -D_OPE...", and the only contributor was "Vaspmaster" (talk))
11:49, 20 January 2022 Huebsch talk contribs deleted page Makefile.include.linux pgi omp (content was: "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxPGI\" \ -DMPI -DMPI_BLOCK=8000 -DMPI_INPLACE -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dqd_emulate \ -Dfock_dblbuf \ -D_OPE...", and the only contributor was "Vaspmaster" (talk))
11:47, 20 January 2022 Huebsch talk contribs deleted page Makefile.include.linux pgi (content was: "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxPGI\" \ -DMPI -DMPI_BLOCK=8000 -DMPI_INPLACE -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dqd_emulate \ -Dfock_dblbuf CPP = pgfortr...", and the only contributor was "Vaspmaster" (talk))
11:47, 20 January 2022 Huebsch talk contribs deleted page Makefile.include.linux nv omp (content was: "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxPGI\" \ -DMPI -DMPI_BLOCK=8000 -DMPI_INPLACE -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dqd_emulate \ -Dfock_dblbuf \ -D_OPE...", and the only contributor was "Vaspmaster" (talk))
11:46, 20 January 2022 Huebsch talk contribs deleted page Makefile.include.linux nv acc (content was: "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxPGI\" \ -DMPI -DMPI_BLOCK=8000 -DMPI_INPLACE -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dqd_emulate \ -Dfock_dblbuf \ -D_OPE...", and the only contributor was "Vaspmaster" (talk))
11:44, 20 January 2022 Huebsch talk contribs deleted page Makefile.include.linux nv (content was: "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxPGI\" \ -DMPI -DMPI_BLOCK=8000 -DMPI_INPLACE -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dqd_emulate \ -Dfock_dblbuf CPP = nvfortr...", and the only contributor was "Vaspmaster" (talk))
11:44, 20 January 2022 Huebsch talk contribs deleted page Makefile.include.linux intel serial (content was: "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxIFC\"\ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Duse_bse_te \ -Dtbdyn \ -Dfock_dblbuf CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS) FC = ifort FCL = ifort -mkl=sequential FREE = -free -names lowercase...", and the only contributor was "Vaspmaster" (talk))
11:44, 20 January 2022 Huebsch talk contribs deleted page Makefile.include.linux intel omp (content was: "<pre> # 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...", and the only contributor was "Vaspmaster" (talk))
11:40, 20 January 2022 Huebsch talk contribs deleted page Makefile.include.linux gnu omp (content was: "<pre> # 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 = gcc -E -P -C -w $*$(FUFF...", and the only contributor was "Vaspmaster" (talk))
11:39, 20 January 2022 Huebsch talk contribs deleted page Makefile.include.linux gnu (content was: "<pre> # 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 = gcc -E -P -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OP...", and the only contributor was "Vaspmaster" (talk))
11:32, 20 January 2022 Huebsch talk contribs moved page Construction:Installing VASP.6.X.X to Installing VASP.6.X.X without leaving a redirect
11:32, 20 January 2022 Huebsch talk contribs moved page Talk:Installing VASP.6.X.X to Construction talk:Installing VASP.6.X.X deprecated without leaving a redirect
11:32, 20 January 2022 Huebsch talk contribs moved page Installing VASP.6.X.X to Construction:Installing VASP.6.X.X deprecated without leaving a redirect
11:29, 20 January 2022 Huebsch talk contribs moved page Construction:Compiler options to Compiler options without leaving a redirect
11:29, 20 January 2022 Huebsch talk contribs moved page Construction:Linking to libraries to Linking to libraries without leaving a redirect
11:26, 20 January 2022 Huebsch talk contribs moved page Construction:Precompiler options to Precompiler options without leaving a redirect
11:26, 20 January 2022 Huebsch talk contribs deleted page Precompiler options (Deleted to make way for move from "Construction:Precompiler options")
11:25, 20 January 2022 Huebsch talk contribs moved page Talk:Precompiler flags to Talk:Precompiler options
11:25, 20 January 2022 Huebsch talk contribs moved page Precompiler flags to Precompiler options
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...")
15:11, 19 January 2022 Ftran talk contribs created page Zab vdW (Created page with "{{TAGDEF|Zab_vdW|[real]}} Description: The flag {{TAG|Zab_vdW}} determines the value of <math>Z_{ab}</math> in the kernel of the non-local vdW correlation functionals. == Rel...") Tag: Visual edit: Switched
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 \...")