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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).
- 13:20, 26 March 2024 User account Csheldon talk contribs was created by Vaspmaster talk contribs
- 10:56, 13 March 2024 Vaspmaster talk contribs created page Talk: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. Color legend: <span style="background:#EAAEB2">Open</span> <span style="background:#ACE9E5">Resolved</span> <span style="background:#9AB7FE">Planned</span> <span style="background:#CBCBCB">Obsolete</span> {| class="sortable wikitable" |- ! style=width:5em | Version fixed !! style="text-align:center;"| Version first noticed !! Date !! Descri...")
- 16:59, 12 March 2024 Vaspmaster talk contribs created page Construction:Changelog (Created page with "== 6.4.3 == ==== FEATURE ==== * Non-blocked Davidson minimizer ({{TAG|ALGO}} = dav <-> {{TAG|IALGO}} = 119). * Increased flexibility in the choice of exchange-correlation functionals: added the tags {{TAG|XC}} and {{TAG|XC_C}} to specify linear combinations of exchange-correlation functionals. * Spline interpolation of the electronic structure factor for k-point convergence acceleration of RPA correlation energies. * CSVR thermostat of Bussi et al. * Write potential (to...")
- 17:10, 8 February 2024 Vaspmaster talk contribs created page BEXT (Created page with "{{DISPLAYTITLE:BEXT}} {{TAGDEF|BEXT|[real array]}} {{DEF|BEXT|0.0|if {{TAG|ISPIN}}{{=}}2|3*0.0|if {{TAG|LNONCOLLINEAR}}{{=}}.TRUE.| N/A | else}} Description: {{TAG|BEXT}} specifies an external magnetic field. ---- By means of the {{TAG|BEXT}} one may specify an external magnetic field that acts on the electrons in a Zeeman-like manner. This interaction is carried by an additional potential of the following form: * For {{TAG|ISPIN}}=2: :<math> V^{\uparrow} = V^{\uparr...")
- 12:04, 7 February 2024 Vaspmaster talk contribs created page Construction:BEXT (Created page with "<!--{{DISPLAYTITLE:BEXT}} --> {{TAGDEF|BEXT|[real array]}} {{DEF|BEXT|0.0|if {{TAG|ISPIN}}{{=}}2|3*0.0|if {{TAG|LNONCOLLINEAR}}{{=}}.TRUE.| N/A | else}} Description: ---- == Related tags and articles == ---- <!-- Category:INCAR tag -->")
- 10:17, 16 November 2023 Vaspmaster talk contribs created page Talk:ISMEAR (Created page with "* {{TAG|ISMEAR}} = -15 needs to be documented")
- 17:31, 13 November 2023 Vaspmaster talk contribs uploaded a new version of File:SCC.png
- 15:56, 20 October 2023 Vaspmaster talk contribs created page Talk:Self-consistency cycle (Created page with "* Explain why we turn to iterative matrix diagonalization instead of simply diagonalizing the Hamiltonian in the plane-wave basis.")
- 10:33, 20 October 2023 Vaspmaster talk contribs created page Talk:RMM-DIIS (Created page with "There are a few things that remain to be done: * Describe the parallelization strategy (NSIM). * Discuss the things that may go wrong, e.g. "losing" a state. * Mention that a...")
- 10:24, 20 October 2023 Vaspmaster talk contribs deleted page Construction:RMM-DIIS (content has been moved into the main namespace)
- 09:02, 20 October 2023 Vaspmaster talk contribs created page Construction:RMM-DIIS (Created page with "The implementation of the Residual Minimization Method with Direct Inversion in the Iterative Subspace (RMM-DIIS) in {{VASP}}{{cite|kresse:cms:1996}}{{cite|kresse:prb:96}} is...")
- 08:25, 20 October 2023 Vaspmaster talk contribs deleted page Davidson iteration scheme (Has been replaced)
- 19:24, 19 October 2023 Vaspmaster talk contribs created page Talk:Blocked-Davidson algorithm (Created page with "Add information in the INCAR tags that control the behaviour of the blocked-Davidson algorithm: * block size (NSIM?) * maximum depth and other break-off criteria (NRMM, DEPER...")
- 19:14, 19 October 2023 Vaspmaster talk contribs moved page Construction:Blocked-Davidson algorithm to Blocked-Davidson algorithm without leaving a redirect
- 17:56, 19 October 2023 Vaspmaster talk contribs created page Construction:Blocked-Davidson algorithm (Created page with "The workflow of the blocked-Davidson iterative matrix diagonalization scheme implemented in {{VASP}} is as follows: * Take a subset (block) of <math>n_1</math> orbitals out...")
- 15:18, 19 October 2023 Vaspmaster talk contribs deleted page Self-Consistency Cycle (Replaced)
- 15:17, 19 October 2023 Vaspmaster talk contribs moved page Construction:Self-consistency cycle to Self-consistency cycle without leaving a redirect
- 14:28, 19 October 2023 Vaspmaster talk contribs created page File:SCC.png
- 14:28, 19 October 2023 Vaspmaster talk contribs uploaded File:SCC.png
- 12:36, 19 October 2023 Vaspmaster talk contribs moved page Construction:Self-Consistency Cycle to Construction:Self-consistency cycle without leaving a redirect
- 12:27, 19 October 2023 Vaspmaster talk contribs moved page Construction:Direct optimisation of the orbitals to Direct optimization of the orbitals without leaving a redirect
- 19:38, 17 October 2023 Vaspmaster talk contribs created page Construction:Self-Consistency Cycle (Created page with "The following section discusses the minimization algorithms implemented in VASP. We generally have one outer loop in which the charge density is optimized, and one inner loop...")
- 19:36, 17 October 2023 Vaspmaster talk contribs created page Construction:Direct optimisation of the orbitals (Created blank page)
- 18:10, 17 October 2023 Vaspmaster talk contribs moved page Talk:Algorithms used in VASP to calculate the electronic groundstate to Talk:Self-Consistency Cycle without leaving a redirect
- 18:10, 17 October 2023 Vaspmaster talk contribs moved page Algorithms used in VASP to calculate the electronic groundstate to Self-Consistency Cycle without leaving a redirect
- 11:34, 17 October 2023 User account Svijay talk contribs was created by Vaspmaster talk contribs
- 12:25, 4 October 2023 User account Pmelo talk contribs was created by Vaspmaster talk contribs
- 10:25, 15 March 2023 User account Wolloch talk contribs was created by Vaspmaster talk contribs
- 14:05, 10 August 2022 User account Verdi talk contribs was created by Vaspmaster talk contribs
- 08:06, 19 July 2022 Vaspmaster talk contribs deleted page Programming in VASP (content was: "This page is outdated. We are working on a new style-guide. In VASP.4.X, the module ''prec'' must be included in all subroutines, and USE prec at the beginning of all subroutines. All real and complex variables must be defined as ''REAL(q)'' and ''COMPLEX(q)'' ('''never''': ''REAL'' or ''COMPLEX''). The use of ''IMPLICIT NONE'' is strongly recommended, but currently not used in all subroutines. If you do not use ''IMPLICIT NONE'', you must use IMPLICIT REAL...")
- 08:05, 19 July 2022 Vaspmaster talk contribs undeleted page Programming in VASP (4 revisions)
- 08:04, 19 July 2022 Vaspmaster talk contribs deleted page Programming in VASP (content was: "This page is outdated. We are working on a new style-guide. In VASP.4.X, the module ''prec'' must be included in all subroutines, and USE prec at the beginning of all subroutines. All real and complex variables must be defined as ''REAL(q)'' and ''COMPLEX(q)'' ('''never''': ''REAL'' or ''COMPLEX''). The use of ''IMPLICIT NONE'' is strongly recommended, but currently not used in all subroutines. If you do not use ''IMPLICIT NONE'', you must use IMPLICIT REAL...")
- 13:28, 18 July 2022 User account Jona talk contribs was created by Vaspmaster talk contribs
- 15:08, 5 May 2022 Vaspmaster talk contribs created page 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...")
- 20:57, 7 April 2022 Vaspmaster talk contribs created page Shared memory (Created page with "VASP is mainly parallelized using MPI, and as much as practically feasible the computational work and storage demands are distributed over the MPI ranks. Unavoidably, however,...")
- 17:15, 7 April 2022 Vaspmaster talk contribs created page Construction:Shared memory (Created page with "To enable shared memory one has to compile with the precompiler flag ''use_shmem''. Unlike distributed matrices the shared memory segment is allocated only once on each node a...")
- 08:02, 7 April 2022 Vaspmaster talk contribs created page Construction:Toolchains (Created page with "== VASP.6.3.0 == {| class="wikitable" style="text-align: center; |- ! Compilers ! MPI ! FFT ! BLAS ! LAPACK ! ScaLAPACK ! CUDA ! HDF5 ! Other ! Remarks ! Known issues |- | int...")
- 13:23, 29 October 2021 User account Tal talk contribs was created by Vaspmaster talk contribs
- 14:20, 6 September 2021 User account Ftran talk contribs was created by Vaspmaster talk contribs
- 11:24, 21 July 2021 Vaspmaster talk contribs changed group membership for Huebsch from (none) to administrator
- 13:42, 15 March 2021 User account Singraber talk contribs was created by Vaspmaster talk contribs
- 13:42, 2 March 2021 User account Huebsch talk contribs was created by Vaspmaster talk contribs
- 12:53, 12 February 2021 Vaspmaster talk contribs deleted page Installing VASP (Superfluous)
- 14:08, 11 February 2021 Vaspmaster talk contribs created page Talk:Hybrid MPI/OpenMP parallelization (Created page with " Category:VASPCategory:Installation")
- 14:07, 11 February 2021 Vaspmaster talk contribs moved page Hybrid openMPI/openMP parallelization to Hybrid MPI/OpenMP parallelization without leaving a redirect (Does not concern "OpenMPI" only)
- 17:19, 10 February 2021 Vaspmaster talk contribs created page Makefile.include nv acc+omp+mkl (Created page with "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxPGI\" \ -DMPI -DMPI_BLOCK=8000 -DMPI_INPLACE -Duse_collective \ -DscaLAPACK \ -DC...")
- 09:40, 23 January 2021 Vaspmaster talk contribs created page OpenACC GPU port of VASP (Created page with "== Requirements == === Software stack === === Hardware === == Running the OpenACC version == == Credits == == Related Tags and Sections == Installing_VASP.6.X.X|I...")
- 17:00, 22 January 2021 Vaspmaster talk contribs moved page GPU port of VASP to CUDA-C GPU port of VASP without leaving a redirect
- 18:49, 21 January 2021 Vaspmaster talk contribs created page Talk:Precompiler flags (Created page with "== Recommended == ;-DHOST=[string] :A string (20 characters max.) that describes the platform on which VASP is compiled, e.g.: -DHOST=\"LinuxIFC\" :for a Linux host using a...")
- 12:57, 20 January 2021 Vaspmaster talk contribs created page Makefile.include.linux nv omp (Created page with "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxPGI\" \ -DMPI -DMPI_BLOCK=8000 -DMPI_INPLACE -Duse_collective \ -DscaLAPACK \ -DC...")
- 12:56, 20 January 2021 Vaspmaster talk contribs created page Makefile.include.linux nv (Created page with "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxPGI\" \ -DMPI -DMPI_BLOCK=8000 -DMPI_INPLACE -Duse_collective \ -DscaLAPACK \ -DC...")
- 12:52, 20 January 2021 Vaspmaster talk contribs created page Makefile.include.linux nv acc (Created page with "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxPGI\" \ -DMPI -DMPI_BLOCK=8000 -DMPI_INPLACE -Duse_collective \ -DscaLAPACK \ -DC...")
- 12:06, 3 November 2020 Vaspmaster talk contribs moved page Smearing be careful with the default ISMEAR to Be careful with the default smearing method (ISMEAR=1) without leaving a redirect
- 12:05, 3 November 2020 Vaspmaster talk contribs deleted page Performance issues, NCORE, KPAR, ALGO (This is a duplicate of another page.)
- 11:36, 3 November 2020 Vaspmaster talk contribs moved page Category:Calculational issues to Category:Common Pitfalls
- 19:30, 26 May 2020 Vaspmaster talk contribs created page Talk:KPOINTS (Created page with " On the fifth, sixth and seventh line the generating basis vectors must be given and the eighth line supplies the shift (if one likes to shift the k-mesh off <math>\Gamma</mat...")
- 21:48, 3 February 2020 Vaspmaster talk contribs created page Talk:Toolchains (Created page with "{| class="wikitable" ! Compilers ! BLAS ! LAPACK ! ScaLAPACK ! MPI ! CUDA ! Other |- | | | | | | | |- | | | | | | | |- | | | | | | | |} {| class="wikitab...")
- 15:36, 3 February 2020 Vaspmaster talk contribs created page Cuda.conf (Created page with "<pre> # # N.B.: there is no CUDA-GPU gamma-only version # export VASP_TESTSUITE_EXE_STD="mpirun -np 4 $PWD/../bin/vasp_gpu" export VASP_TESTSUITE_EXE_NCL="mpirun -np 4 $PWD/.....")
- 15:35, 3 February 2020 Vaspmaster talk contribs created page Ompi+omp.conf (Created page with "<pre> # # define the commands that run vasp_std, vasp_ncl, and vasp_gam # kmp="-x KMP_AFFINITY=verbose,granularity=fine,compact,1,0 -x KMP_STACKSIZE=512m" nthrds=4 nranks=2...")
- 15:34, 3 February 2020 Vaspmaster talk contribs created page Impi+omp.conf (Created page with "# # define the commands that run vasp_std, vasp_ncl, and vasp_gam # nthrds=4 nranks=2 mpi="-np $nranks -ppn $nranks" omp="-genv OMP_NUM_THREADS=$nthrds -genv OMP_STACKSIZE=51...")
- 15:34, 3 February 2020 Vaspmaster talk contribs created page Fast.conf (Created page with "<pre> # # define the commands that run vasp_std, vasp_ncl, and vasp_gam # # Default: # ##export VASP_TESTSUITE_EXE_STD="mpirun -np 4 $PWD/../bin/vasp_std" ##export VASP_TESTSU...")
- 15:33, 3 February 2020 Vaspmaster talk contribs created page All.conf (Created page with "<pre> # # define the commands that run vasp_std, vasp_ncl, and vasp_gam # # Default: # ##export VASP_TESTSUITE_EXE_STD="mpirun -np 4 $PWD/../bin/vasp_std" ##export VASP_TESTSU...")
- 17:32, 31 January 2020 Vaspmaster talk contribs created page Talk:Installing VASP.6.X.X (Created page with "* Need to add the QD library for PGI! * Need to add the remark about LAPACK.3.3.6")
- 17:24, 31 January 2020 Vaspmaster talk contribs moved page Installing VASP.6.1.0 to Installing VASP.6.X.X without leaving a redirect
- 17:16, 31 January 2020 Vaspmaster talk contribs created page Installing VASP.5.X.X (Created page with "== Requirements == For the compilation of the parallel version of VASP the following software is mandatory: * Fortran and C compilers. * An implementation of MPI (Message Pa...")
- 17:16, 31 January 2020 Vaspmaster talk contribs created page Installing VASP.6.1.0 (Created page with "== Requirements == For the compilation of VASP the following software is mandatory: * Fortran (at least F2008 compliant), C and C++ compilers. * An implementation of the Me...")
- 14:50, 30 January 2020 Vaspmaster talk contribs created page Makefile.include.linux pgi acc (Created page with "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxPGI\" \ -DMPI -DMPI_BLOCK=8000 -DMPI_INPLACE -Duse_collective \ -DscaLAPACK \ -DC...")
- 14:49, 30 January 2020 Vaspmaster talk contribs created page Makefile.include.linux pgi omp (Created page with "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxPGI\" \ -DMPI -DMPI_BLOCK=8000 -DMPI_INPLACE -Duse_collective \ -DscaLAPACK \ -DC...")
- 14:48, 30 January 2020 Vaspmaster talk contribs created page Makefile.include.linux pgi (Created page with "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxPGI\" \ -DMPI -DMPI_BLOCK=8000 -DMPI_INPLACE -Duse_collective \ -DscaLAPACK \ -DC...")
- 14:47, 30 January 2020 Vaspmaster talk contribs created page Makefile.include.linux gnu omp (Created page with "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxGNU\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000...")
- 14:46, 30 January 2020 Vaspmaster talk contribs created page Makefile.include.linux gnu (Created page with "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxGNU\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000...")
- 14:45, 30 January 2020 Vaspmaster talk contribs created page Makefile.include.linux intel serial (Created page with "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxIFC\"\ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Duse_bse_te \ -Dtbdyn \...")
- 14:45, 30 January 2020 Vaspmaster talk contribs created page Makefile.include.linux intel omp (Created page with "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxIFC\"\ -DMPI -DMPI_BLOCK=8000 -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000...")
- 14:29, 30 January 2020 Vaspmaster talk contribs created page Toolchains (Created page with "*A Debian based installation of VASP *A Ubuntu based installation of VASP *A Fedora based installation of VASP *A CentOS based installation of VASP *Linking...")
- 11:36, 30 January 2020 Vaspmaster talk contribs created page Talk:Installing VASP (Created page with "== Requirements == == Build system == == How to make VASP == == Archetypical makefile.include files == == Adapting makefile.include == === Precompiler variables ===...")
- 15:36, 29 January 2020 Vaspmaster talk contribs created page Talk:Validation tests (Created page with "# 1. The VASP testsuite ------------------------------------------------------------------------ The VASP testsuite is located in `root/testsuite` where `root` is the root di...")
- 18:28, 27 January 2020 Vaspmaster talk contribs moved page Testsuite to Validation tests without leaving a redirect
- 18:20, 27 January 2020 Vaspmaster talk contribs created page Testsuite (Created blank page)
- 15:15, 28 November 2019 Vaspmaster talk contribs changed group membership for Miranda.henrique from (none) to administrator
- 15:14, 28 November 2019 User account Miranda.henrique talk contribs was created by Vaspmaster talk contribs
- 12:41, 13 November 2019 Vaspmaster talk contribs deleted page File:SrVO3 GW band.tgz
- 12:40, 13 November 2019 Vaspmaster talk contribs created page File:SrVO3 GW band.tgz
- 12:40, 13 November 2019 Vaspmaster talk contribs uploaded File:SrVO3 GW band.tgz
- 19:19, 29 October 2019 Vaspmaster talk contribs uploaded File:VASP lecture RPA.pdf
- 18:04, 29 October 2019 Vaspmaster talk contribs deleted page File:4 1 Ni.tgz
- 18:04, 29 October 2019 Vaspmaster talk contribs deleted page File:PhysRevB.38.12807.pdf
- 18:04, 29 October 2019 Vaspmaster talk contribs uploaded File:PhysRevB.38.12807.pdf
- 18:03, 29 October 2019 Vaspmaster talk contribs uploaded File:4 1 Ni.tgz
- 18:03, 29 October 2019 Vaspmaster talk contribs deleted page File:Oatom.zip
- 18:03, 29 October 2019 Vaspmaster talk contribs deleted page File:FccSidos.tgz
- 18:02, 29 October 2019 Vaspmaster talk contribs uploaded File:Oatom.zip
- 18:01, 29 October 2019 Vaspmaster talk contribs deleted page File:Oatom.zip
- 17:59, 29 October 2019 Vaspmaster talk contribs uploaded File:FccSidos.tgz
- 17:41, 29 October 2019 Vaspmaster talk contribs uploaded File:Oatom.zip
- 18:18, 10 September 2019 User account Mewes talk contribs was created by Vaspmaster talk contribs
- 16:56, 8 August 2019 Vaspmaster talk contribs moved page Calculate U for LDA+U to Calculate U for LSDA+U without leaving a redirect
- 15:48, 8 August 2019 Vaspmaster talk contribs uploaded File:NiOLDAU3.png
- 10:45, 26 June 2019 User account Xrocq talk contribs was created by Vaspmaster talk contribs
- 15:09, 24 June 2019 Vaspmaster talk contribs uploaded File:SrVO3 bandstructure.png
- 12:40, 15 April 2019 Vaspmaster talk contribs deleted page Talk:The VASP Manual (No relevant content)