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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).

09:21, 20 August 2020 Miranda.henrique talk contribs uploaded File:40px-Ambox important.png
07:17, 20 August 2020 Karsai talk contribs created page Extract zpr cd carbon (Created page with "#!/bin/bash i="OUTCAR.T=0." j="OUTCAR.init" homo1=`awk '/NELECT/ {print $3/2}' $i` homo2=`awk '/NELECT/ {print $3/2-1}' $i` homo3=`awk '/NELECT/ {print $3/2-2}' $i` lumo1=`a...")
07:24, 19 August 2020 Karsai talk contribs created page Electron Phonon Couplings: Statistical averages (Created page with "{{Template:Lattice Dynamics - Tutorial}} == Task == == Input == === {{TAG|POSCAR}} === === {{TAG|KPOINTS}} === === {{TAG|INCAR}} === == Calculation == == Download ==...")
04:51, 24 June 2020 Miranda.henrique talk contribs uploaded a new version of File:VASP lecture BSE.pdf (Fix on slide 8 where the k-point weight was included in the oscillator. The weight only appears in the absorption formula.)
12:29, 16 June 2020 Kaltakm talk contribs created page LFINITE TEMPERATURE (Created page with "{{TAGDEF|LFINITE_TEMPERATURE|[logical]|.FALSE.}} Description: {{TAG|LWAVE}} determines whether the wavefunctions are written to the {{TAG|WAVECAR}} file at the end of a run....")
12:17, 16 June 2020 Kaltakm talk contribs created page Matsubara Formalism (Created page with "The zero-temperature formalism of many-body perturbation theory breaks down for metals (system with zero band gap).")
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...")
08:16, 8 May 2020 Kresse talk contribs created page LMODELHF (Created page with "{{TAGDEF|LMODELHF|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LMODELHF}} selects a decomposition of the exchange functional based on a range separated screening, with f...")
11:11, 16 April 2020 Kresse talk contribs created page VCA (Created page with "{{TAGDEF|VCA|[real array]|read from the {{TAG|POTCAR}} file}} Description: {{TAG|VCA}} is short for the virtual crystal approximation; the tag allows to "weight" each species...")
05:35, 30 March 2020 Karsai talk contribs created page DYNMATFULL (Created page with "This file contains the eigenvalues, eigenvectors of the Hessian matrix, initial positions and atomic information of the system. ---- Category:FilesCategory:Input File...")
05:17, 30 March 2020 Karsai talk contribs created page SCALEE (Created page with "{{TAGDEF|SCALEE|[real]|1.0}} Description: This tag specifies the scaling of the Hamiltonian. ---- For thermodynamic integration this parameter controls the coupling paramete...")
16:57, 20 March 2020 Karsai talk contribs created page NCORE IN IMAGE1 (Created page with "{{TAGDEF|NCORE_IN_IMAGE1|[integer]|0}} Description: == Related Tags and Sections == {{TAG|VCAIMAGES}} ---- Category:INCAR Category:Molecular DynamicsCategory:Ther...")
16:52, 20 March 2020 Karsai talk contribs created page Category:Thermodynamic integration (Created page with "This category contains all tags related to thermodynamic integration.")
16:50, 20 March 2020 Karsai talk contribs deleted page Thermodynamic integration (content was: "{{TAG|VCAIMAGES}} Thermodynamic integration Category:Molecular Dynamics", and the only contributor was "Karsai" (talk))
16:45, 20 March 2020 Karsai talk contribs created page VCAIMAGES (Created page with "---- Category:INCAR Category:Molecular Dynamics Category:Thermodynamic integration")
16:43, 20 March 2020 Karsai talk contribs created page Thermodynamic integration (Created page with "{{TAG|VCAIMAGES}}")
14:52, 26 February 2020 Karsai talk contribs created page Category:Alpha (Created page with "This category contains all features that at only available in the developers version of VASP.")
14:40, 24 February 2020 Kaltakm talk contribs created page NSTORB (Created page with "{{TAGDEF|NSTORB|[integer]}} {{DEF|NSTORB|-1|}} Description: {{TAG|NSTORB}} specifies the number of stochastic orbitals per cycle in the stochastic MP2 algorithm.{{cite|Schaef...")
14:34, 24 February 2020 Kaltakm talk contribs created page ESTOP (Created page with "{{TAGDEF|ESTOP|[real]}} {{DEF|ESTOP|0.05| }} Description: {{TAG|ESTOP}} specifies the stop condition for stochastic MP2.{{cite|Schaefer:JCP2017}} ---- {{TAGBL|ESTOP}} define...")
14:25, 24 February 2020 Kaltakm talk contribs created page LSMP2LT (Created page with "{{TAGDEF|LSMP2LT|.FALSE. {{!}} .TRUE.}} {{DEF|LSMP2LT|.FALSE.|}} Description: {{TAG|LSMP2LT}} selects a stochastic Laplace transformed MP2 algorithm. ---- If {{TAG|LSMP2LT}}...")
14:20, 24 February 2020 Kaltakm talk contribs created page MP2 (Created page with "By specifying {{TAG|ALGO}}=''MP2'' in the {{TAG|INCAR}} file VASP calculates MP2 correlation energies. It is strongly recommended to calculate all virtual states spanned by th...")
14:15, 24 February 2020 Kaltakm talk contribs created page LMP2LT (Created page with "{{TAGDEF|LMP2LT|.FALSE. {{!}} .TRUE.}} {{DEF|LMP2LT|.FALSE.|}} Description: {{TAG|LMP2LT}} selects a Laplace transformed MP2 algorithm. ---- If {{TAG|LMP2LT}}=.TRUE. and {{T...")
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 ===...")
10:38, 30 January 2020 Karsai talk contribs moved page ML FFCAR to ML FF
10:37, 30 January 2020 Karsai talk contribs moved page ML FFNCAR to ML FFN
10:37, 30 January 2020 Karsai talk contribs moved page ML HISCAR to ML HIS
10:36, 30 January 2020 Karsai talk contribs moved page ML REGCAR to ML REG
10:33, 30 January 2020 Karsai talk contribs moved page ML ABNCAR to ML ABN
10:32, 30 January 2020 Karsai talk contribs moved page ML ABCAR to ML AB
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)