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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).
- 13:38, 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.")
- 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
- 21:13, 17 February 2021 Miranda.henrique talk contribs created page NUM WANN (Created page with "{{TAGDEF|NUM_WANN|[integer]|{{TAG|NBANDS}}}} Description: Since vasp 6.2.0 {{TAG|NUM_WANN}} determines the number of Wannier orbitals to be used with wannier90. ----") Tag: Visual edit: Switched
- 14:52, 15 February 2021 Miranda.henrique talk contribs created page Talk:Dipole corrections for defects in solids (Created page with "This page should be updated and cleaned up. We should create separate subsections for the different types of issues and their solutions. Users have trouble finding their way...")
- 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...")
- 16:25, 9 February 2021 Karsai talk contribs created page Available PAW potentials (Created page with "PAW potentials for all elements in the periodic table are available. With the exception of the 1st row elements, all PAW potentials were generated to work reliably and accurat...")
- 16:19, 9 February 2021 Karsai talk contribs created page Category talk:PAW (Created page with "== How to == *Major control tags for PAW: {{TAG|PAW control tags}}.")
- 07:27, 5 February 2021 Miranda.henrique talk contribs deleted page Template:! (content was: "|")
- 16:51, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:sun:prb:11 (This is a dead page)
- 16:51, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:sun:prl:15 (This is a dead page)
- 16:50, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:sun:natm:16 (This is a dead page)
- 16:50, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:sun:jcp:13 (This is a dead page)
- 16:46, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:sun:jcp:12 (This is a dead page)
- 16:42, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:becke:jcp:06 (This is a dead page)
- 16:37, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:tran:prl:09 (This is a dead page)
- 16:37, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:zhao:jcp:06 (This is a dead page)
- 16:21, 4 February 2021 Miranda.henrique talk contribs moved page Style-guide to Construction:Style-guide
- 16:06, 4 February 2021 Miranda.henrique talk contribs moved page Draft:HDF5 support to Construction:HDF5 support without leaving a redirect
- 15:47, 4 February 2021 Miranda.henrique talk contribs created page Draft:HDF5 support (Created page with "Since VASP 6.2.0 we started supporting the feature of reading and writing hdf5 files. The HDF5 [https://www.hdfgroup.org/solutions/hdf5/] file is a hierarchical data file that...")
- 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...")
- 09:56, 16 November 2020 Karsai talk contribs deleted page ML FF W2 MB (content was: "{{TAGDEF|ML_FF_W2_MB|[real]|1.0-ML_FF_W1_MB}} Description: This tag defines the weight for the angular descriptor within the machine lea...", and the only contributor was "Karsai" (talk))
- 08:27, 4 November 2020 Kresse talk contribs created page NATURALO (Created page with "{{TAGDEF|NATURALO|[integer]|.FALSE.}} Description: allows to calculate RPA natural orbitals. ---- == Related Tags and Sections == * {{TAG|ALGO}} for response functions and...")
- 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
- 10:22, 27 October 2020 Karsai talk contribs deleted page ML FF LCONF DISCARD (content was: "{{TAGDEF|ML_FF_LCONF_DISCARD|[logical]|.FALSE.}} Description: This flag decides whether configurations that do not provide local referen...", and the only contributor was "Karsai" (talk))
- 15:09, 14 October 2020 Kresse talk contribs created page Precision, symmetry and POSCAR (Created page with "VASP determines the symmetry of the system from the {{TAG| POSCAR}} file. It is a common mistake, to enter the positions with insufficient precision (too few digits). To make...")
- 15:01, 14 October 2020 Kresse talk contribs created page Performance issues, try NCORE, KPAR, ALGO, LREAL (Created page with "Many user have difficulties to make good choices for various computational and technical parameters, resulting in suboptimal performance. Here is a very brief outline which ta...")
- 13:55, 14 October 2020 Kresse talk contribs created page Performance issues, NCORE, KPAR, ALGO (Created page with "Many user have difficulties to make good choices for various computational and technical parameters, resulting in suboptimal performance. Here is a very brief outline which ta...")
- 11:21, 14 October 2020 Kresse talk contribs created page Smearing be careful with the default ISMEAR (Created page with "The default for {{TAG|ISMEAR}} is 2 in VASP. ---- Category:Calculational issues")
- 16:53, 22 September 2020 Karsai talk contribs moved page Electron Phonon Couplings: Statistical averages to Band gap renormalization in diamond using one-shot method
- 13:25, 7 September 2020 Karsai talk contribs deleted page File:EPC cd-C.tgz (Deleted old revision 20200907132449!EPC_cd-C.tgz)
- 13:24, 7 September 2020 Karsai talk contribs uploaded a new version of File:EPC cd-C.tgz
- 12:49, 7 September 2020 Karsai talk contribs moved page Extract zpr cd carbon to Extract zpr
- 09:15, 3 September 2020 Karsai talk contribs deleted page File:EPC cd-C.tgz (Deleted old revision 20200903091541!EPC_cd-C.tgz)
- 09:15, 3 September 2020 Karsai talk contribs uploaded a new version of File:EPC cd-C.tgz
- 09:13, 3 September 2020 Karsai talk contribs deleted page File:EPC cd-C.tgz (Deleted old revision 20200903091302!EPC_cd-C.tgz)
- 09:13, 3 September 2020 Karsai talk contribs uploaded a new version of File:EPC cd-C.tgz
- 09:11, 3 September 2020 Karsai talk contribs deleted page File:EPC cd-C.tgz (Deleted old revision 20200903091053!EPC_cd-C.tgz)
- 09:10, 3 September 2020 Karsai talk contribs uploaded a new version of File:EPC cd-C.tgz
- 08:18, 3 September 2020 Karsai talk contribs created page File:Temperature dependence of cd-C 4x4x4 vol.jpg
- 08:18, 3 September 2020 Karsai talk contribs uploaded File:Temperature dependence of cd-C 4x4x4 vol.jpg
- 07:58, 3 September 2020 Karsai talk contribs created page Quasi harm 4x4x4 diamond obtain fitting (Created page with "<pre> #!/bin/bash for i in OUTTEMP_* do cp $i OUTTEMP.current #extract temperature temp=`head -n 1 OUTTEMP.current|awk '{print $3}'` #do fitting gnuplot -e "E(...")
- 07:57, 3 September 2020 Karsai talk contribs created page Quasi harm 4x4x4 diamond make energy vs volume plots (Created page with "<pre> #!/bin/bash bandshift=0 gwrun=-1 dgbd=-1 val=-1 con=-1 gwldadiff=-1 test=-1 while $# -gt 0 do key="$1" case $key in esac shift done if [ -f "helpscri...")
- 07:49, 3 September 2020 Karsai talk contribs created page Quasi harm 4x4x4 diamond create pos and run vasp (Created page with "<pre> #! /bin/bash # please enter your executable path here vasp_exec=./vasp_gam #please enter the number of processors used for VASP here np=8 cp INCAR.qh INCAR for i in...")
- 15:36, 2 September 2020 Karsai talk contribs deleted page File:Temperature dependence of cd-C 4x4x4.jpg (Deleted old revision 20200902153620!Temperature_dependence_of_cd-C_4x4x4.jpg)
- 15:36, 2 September 2020 Karsai talk contribs uploaded a new version of File:Temperature dependence of cd-C 4x4x4.jpg
- 15:34, 2 September 2020 Karsai talk contribs created page File:Temperature dependence of cd-C 4x4x4.jpg
- 15:34, 2 September 2020 Karsai talk contribs uploaded File:Temperature dependence of cd-C 4x4x4.jpg
- 15:33, 2 September 2020 Karsai talk contribs deleted page File:Temperature dependence of cd-C 4x4x4.jpg
- 15:33, 2 September 2020 Karsai talk contribs uploaded a new version of File:Temperature dependence of cd-C 4x4x4.jpg
- 15:10, 2 September 2020 Karsai talk contribs created page Gnuplot XANES C (Created page with "<pre> unset ytics set xrange [280:310] set xlabel "Energy (eV)" set ylabel "Absorption (arbitrary units)" plot "CORE_DIELECTRIC_IMAG.dat" using 1:2 with lines lw 2 ti "VASP",\...")
- 15:06, 2 September 2020 Karsai talk contribs created page File:XANES Diamond.tgz
- 15:06, 2 September 2020 Karsai talk contribs uploaded File:XANES Diamond.tgz
- 15:05, 2 September 2020 Karsai talk contribs deleted page File:XANES Diamond.tgz
- 14:56, 2 September 2020 Karsai talk contribs created page Plot core imdiel (Created page with "<pre> #!/bin/bash parallel=-1 normal=-1 all=-1 tauc=-1 trace=-1 while $# -gt 0 do key="$1" case $key in -parallel) parallel=0 ;; -normal) normal...")
- 14:47, 1 September 2020 Karsai talk contribs created page ML FF EPS LOW (Created page with "{{TAGDEF|ML_FF_EPS_LOW|[real]|0.0}} == Related Tags and Sections == {{sc|ML_FF_EPS_LOW|Examples|Examples that use this tag}} ---- Category:INCARCategory:Machine Lear...")
- 13:59, 21 August 2020 Karsai talk contribs created page File:EPC cd-C.tgz
- 13:59, 21 August 2020 Karsai talk contribs uploaded File:EPC cd-C.tgz
- 13:58, 21 August 2020 Karsai talk contribs deleted page File:ZPR cd-C.tgz
- 13:50, 21 August 2020 Karsai talk contribs created page File:Temperature dependence of cd-C 4x4x4.jpg
- 13:50, 21 August 2020 Karsai talk contribs uploaded File:Temperature dependence of cd-C 4x4x4.jpg
- 13:40, 21 August 2020 Karsai talk contribs created page Extract temp cd carbon (Created page with "<pre> !/bin/bash if [ -f gap_vs_temp.dat ] then rm gap_vs_temp.dat fi touch gap_vs_temp.dat counter=0 for temp in 0 100 200 300 400 500 600 700 do i="OUTCAR.T=$temp"...")
- 13:37, 21 August 2020 Karsai talk contribs created page Run temperature cd carbon (Created page with "<pre> #!/bin/bash # please enter your executable path here vasp_exec=./vasp_gam #please enter the number of processors used for VASP here np=8 for i in 0 100 200 300 400 5...")
- 13:13, 20 August 2020 Karsai talk contribs created page File:ZPR cd-C.tgz
- 13:13, 20 August 2020 Karsai talk contribs uploaded File:ZPR cd-C.tgz
- 09:30, 20 August 2020 Miranda.henrique talk contribs created page Template:Warning (Created page with "<div style="background:#f9f9f9; border:solid 1px #AAAAAA; margin-bottom:1em; padding:0.4em 0.6em;">File:40px-Ambox_important.png[[Template:{{{1}}}|{{{1}}}]]</div>")
- 09:21, 20 August 2020 Miranda.henrique talk contribs created page File:40px-Ambox important.png
- 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:INCARCategory: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 integrationCategory:Molecular Dynamics", and the only contributor was "Karsai" (talk))
- 16:45, 20 March 2020 Karsai talk contribs created page VCAIMAGES (Created page with "---- Category:INCARCategory:Molecular DynamicsCategory: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)
- 13:33, 16 December 2019 Kaltakm talk contribs created page LFOCKACE (Created page with "{{TAGDEF|LFOCKACE|.TRUE. {{!}} .FALSE. | .TRUE.}} Description: {{TAG|LHFCALC}} determines whether the Adaptively Compressed Exchange Operator is used.{{cite|linlin:jctc:2016}...")
- 08:35, 13 December 2019 Karsai talk contribs deleted page ML FF LMLMB (content was: "{{TAGDEF|ML_FF_LMLMB|[logical]|.TRUE.}} Description: This controls whether the many-body interaction term is included in the machine lea...", and the only contributor was "Karsai" (talk))
- 15:27, 28 November 2019 Schlipf talk contribs created page STOP ON (Created page with "{{TAGDEF|STOP_ON|Error{{!}}Alert|Error}} Description: {{TAG|STOP_ON}} defines if the code should stop on errors only or also on alerts. ---- There are two instances, why on...")
- 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
- 15:01, 14 November 2019 Karsai talk contribs created page File:Nio constr.tgz
- 15:01, 14 November 2019 Karsai talk contribs uploaded File:Nio constr.tgz
- 14:38, 14 November 2019 Karsai talk contribs created page File:VASP lecture RPA.pdf
- 14:38, 14 November 2019 Karsai talk contribs uploaded File:VASP lecture RPA.pdf
- 14:36, 14 November 2019 Karsai talk contribs created page File:VASP lecture Basics2.pdf
- 14:36, 14 November 2019 Karsai talk contribs uploaded File:VASP lecture Basics2.pdf
- 14:35, 14 November 2019 Karsai talk contribs deleted page File:VASP lecture RPA.pdf
- 14:35, 14 November 2019 Karsai talk contribs deleted page File:VASP lecture RPA.pdf (Deleted old revision 20191114142932!VASP_lecture_RPA.pdf)
- 14:32, 14 November 2019 Karsai talk contribs created page File:VASP lecture NMR.pdf
- 14:32, 14 November 2019 Karsai talk contribs uploaded File:VASP lecture NMR.pdf
- 14:31, 14 November 2019 Karsai talk contribs created page File:VASP lecture HPC.pdf
- 14:31, 14 November 2019 Karsai talk contribs uploaded File:VASP lecture HPC.pdf
- 14:30, 14 November 2019 Karsai talk contribs created page File:VASP lecture BSE.pdf
- 14:30, 14 November 2019 Karsai talk contribs uploaded File:VASP lecture BSE.pdf
- 14:29, 14 November 2019 Karsai talk contribs created page File:VASP lecture Basics3.pdf
- 14:29, 14 November 2019 Karsai talk contribs uploaded File:VASP lecture Basics3.pdf
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- 19:19, 29 October 2019 Vaspmaster talk contribs uploaded File:VASP lecture RPA.pdf
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- 13:22, 5 September 2019 Karsai talk contribs moved page Machine learning force fields: Theory to Machine learning force field: Theory
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- 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
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- 13:31, 29 July 2019 Kaltakm talk contribs uploaded File:Chi.png (The independent particle polarizability can be written as product of two non-interacting Green's function propagating in opposite directions.)
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- 15:50, 25 July 2019 Kaltakm talk contribs moved page Groundstate in the Random Phase Approximation to RPA/ACFDT: Correlation energy in the Random Phase Approximation
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- 17:09, 24 July 2019 Kaltakm talk contribs moved page Talk:GW calculations to Talk:Practical guide to GW calculations
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- 16:56, 24 July 2019 Kaltakm talk contribs moved page The GW approximation of Hedin's equations to GW approximation of Hedin's equations
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- 10:46, 18 July 2019 Bokdam talk contribs uploaded a new version of File:NaCl-diel-ion.png
- 10:54, 17 July 2019 Bokdam talk contribs uploaded File:NaCl-diel-ion.png (Ionic and Electronic contributions to the freqency dependent dielectric function of NaCl.)
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- 15:51, 24 June 2019 Kaltakm talk contribs uploaded File:DOS SrVO3 comparison.png (Comparison of density of states of SrVO3 for PBE, HSE and GW0.)
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- 10:53, 11 June 2019 Karsai talk contribs uploaded a new version of File:Angular filtering MLFF cropped.png
- 10:53, 11 June 2019 Karsai talk contribs uploaded a new version of File:Angular filtering MLFF cropped.png
- 10:48, 11 June 2019 Karsai talk contribs uploaded File:Angular filtering MLFF cropped.png
- 10:47, 11 June 2019 Karsai talk contribs deleted page File:Angular filtering MLFF.png
- 10:46, 11 June 2019 Karsai talk contribs uploaded File:Angular filtering MLFF.png
- 10:45, 11 June 2019 Karsai talk contribs deleted page File:Angular filtering MLFF.png
- 10:45, 11 June 2019 Karsai talk contribs uploaded File:Angular filtering MLFF.png
- 15:19, 7 June 2019 Karsai talk contribs moved page Nuclephile Substitution CH3Cl - Standard MD to Nucleophile Substitution CH3Cl - Standard MD
- 13:37, 7 June 2019 Karsai talk contribs moved page XAS to XAS - Tutorial
- 13:37, 7 June 2019 Karsai talk contribs moved page Template:XAS to Template:XAS - Tutorial
- 13:34, 7 June 2019 Karsai talk contribs moved page Surface Science to Surface Science - Tutorial
- 13:34, 7 June 2019 Karsai talk contribs moved page Template:Sur sci to Template:Sur sci - Tutorial
- 13:32, 7 June 2019 Karsai talk contribs moved page Optical properties and dielectric response to Optical properties and dielectric response - Tutorial
- 13:32, 7 June 2019 Karsai talk contribs moved page Template:Optics dielectric to Template:Optics dielectric - Tutorial
- 13:30, 7 June 2019 Karsai talk contribs moved page MP2 ground state calculation to MP2 ground state calculation - Tutorial
- 13:30, 7 June 2019 Karsai talk contribs moved page Template:Magnetism to Template:Magnetism - Tutorial
- 13:29, 7 June 2019 Karsai talk contribs moved page Magnetism to Magnetism - Tutorial
- 13:28, 7 June 2019 Karsai talk contribs moved page LTMP2 to LTMP2 - Tutorial
- 13:28, 7 June 2019 Karsai talk contribs moved page Template:MP2 to Template:MP2 - Tutorial
- 13:26, 7 June 2019 Karsai talk contribs moved page Lattice Dynamics to Lattice Dynamics - Tutorial
- 13:25, 7 June 2019 Karsai talk contribs moved page Template:Lattice Dynamics to Template:Lattice Dynamics - Tutorial
- 13:24, 7 June 2019 Karsai talk contribs moved page Input and Output to Input and Output - Tutorial
- 13:24, 7 June 2019 Karsai talk contribs moved page Template:Input and Output to Template:Input and Output - Tutorial
- 13:22, 7 June 2019 Karsai talk contribs moved page Hybrid functionals to Hybrid functionals - Tutorial
- 13:22, 7 June 2019 Karsai talk contribs moved page Template:Hybrid functionals to Template:Hybrid functionals - Tutorial
- 13:16, 7 June 2019 Karsai talk contribs moved page GW and ACFDT to GW and ACFDT - Tutorial
- 13:16, 7 June 2019 Karsai talk contribs moved page Template:GW- Tutorial to Template:GW - Tutorial
- 13:15, 7 June 2019 Karsai talk contribs moved page Template:Gw to Template:GW- Tutorial
- 13:14, 7 June 2019 Karsai talk contribs moved page Bulk Systems to Bulk Systems - Tutorial
- 13:14, 7 June 2019 Karsai talk contribs moved page Template:Bulk systems to Template:Bulk systems - Tutorial
- 13:12, 7 June 2019 Karsai talk contribs moved page Template:At and mol to Template:At and mol - Tutorial
- 13:11, 7 June 2019 Karsai talk contribs moved page Template:BSE to Template:BSE - Tutorial
- 13:10, 7 June 2019 Karsai talk contribs moved page BSE to BSE - Tutorial
- 13:09, 7 June 2019 Karsai talk contribs moved page Atoms and Molecules to Atoms and Molecules - Tutorial
- 10:08, 5 June 2019 Karsai talk contribs moved page FFNCAR to ML FFNCAR
- 10:07, 5 June 2019 Karsai talk contribs moved page FFCAR to ML FFCAR
- 10:07, 5 June 2019 Karsai talk contribs moved page HISCAR to ML HISCAR
- 10:07, 5 June 2019 Karsai talk contribs moved page REGCAR to ML REGCAR
- 10:01, 5 June 2019 Karsai talk contribs moved page ABNCAR to ML ABNCAR
- 09:59, 5 June 2019 Karsai talk contribs moved page ABCAR to ML ABCAR
- 16:17, 21 May 2019 Karsai talk contribs deleted page ML FF RCUT LJ MODEL (content was: "{{TAGDEF|ML_FF_RCUT_LJ_MODEL|[real]|15.0}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_RCUT_LJ_MODEL|Examples|Examples that use this tag}} ----..." (and the only contributor was "Karsai"))
- 15:44, 21 May 2019 Karsai talk contribs deleted page ML FF LMLPC (content was: "{{TAGDEF|ML_FF_LMLPC|[logical]|.FALSE.}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_LMLPC|Examples|Examples that use this tag}} ---- Categor..." (and the only contributor was "Karsai"))
- 09:16, 10 May 2019 Schlipf talk contribs moved page Category:Mixing to Category:Density Mixing
- 08:35, 9 May 2019 Karsai talk contribs undeleted page ML FF CSIG (1 revision restored)
- 08:34, 9 May 2019 Karsai talk contribs deleted page ML FF ELEMENT HYP2 MB (content was: "{{TAGDEF|ML_FF_ELEMENT_HYP2_MB|[real]}} {{DEF|ML_FF_ELEMENT_HYP2_MB|1.0|if {{TAG|ML_FF_ISOAP2_MB}}{{=}}4|none|otherwise}} Description: ---- == Related Tags and Se..." (and the only contributor was "Karsai"))
- 08:34, 9 May 2019 Karsai talk contribs deleted page ML FF ELEMENT HYP1 MB (content was: "{{TAGDEF|ML_FF_ELEMENT_HYP1_MB|[real]}} {{DEF|ML_FF_ELEMENT_HYP1_MB|1.0|if {{TAG|ML_FF_ISOAP1_MB}}{{=}}4|none|otherwise}} Description: ---- == Related Tags and Se..." (and the only contributor was "Karsai"))
- 08:34, 9 May 2019 Karsai talk contribs deleted page ML FF XMIX (content was: "{{TAGDEF|ML_FF_XMIX|[real]|1.0}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_XMIX|Examples|Examples that use this tag}} ---- Category:INCAR..." (and the only contributor was "Karsai"))
- 08:34, 9 May 2019 Karsai talk contribs deleted page ML FF WQION (content was: "{{TAGDEF|ML_FF_WQION|[real]}} {{DEF|ML_FF_WQION|0.01|if {{TAG|ML_FF_IWEIGHT}}{{=}}1|1.0|otherwise}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_..." (and the only contributor was "Karsai"))
- 08:33, 9 May 2019 Karsai talk contribs deleted page ML FF NTEST (content was: "{{TAGDEF|ML_FF_NTEST|[integer]|10}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_NTEST|Examples|Examples that use this tag}} ---- Category:INC..." (and the only contributor was "Karsai"))
- 08:32, 9 May 2019 Karsai talk contribs deleted page ML FF LTRJ (content was: "{{TAGDEF|ML_FF_LTRJ|[logical]|.FALSE.}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_LTRJ|Examples|Examples that use this tag}} ---- Category:..." (and the only contributor was "Karsai"))
- 08:31, 9 May 2019 Karsai talk contribs deleted page ML FF LTEST (content was: "{{TAGDEF|ML_FF_LTEST|[logical]|.FALSE.}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_LTEST|Examples|Examples that use this tag}} ---- Categor..." (and the only contributor was "Karsai"))
- 08:31, 9 May 2019 Karsai talk contribs deleted page ML FF V AT MODEL (content was: "{{TAGDEF|ML_FF_V_AT_MODEL|[real]|45.80144229}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_V_AT_MODEL|Examples|Examples that use this tag}} ----..." (and the only contributor was "Karsai"))
- 08:31, 9 May 2019 Karsai talk contribs deleted page ML FF SIGMA LJ MODEL (content was: "{{TAGDEF|ML_FF_SIGMA_LJ_MODEL|[real]|3.4}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_SIGMA_LJ_MODEL|Examples|Examples that use this tag}} ----..." (and the only contributor was "Karsai"))
- 08:30, 9 May 2019 Karsai talk contribs deleted page ML FF SIGMA SW MODEL (content was: "{{TAGDEF|ML_FF_SIGMA_SW_MODEL|[real]|2.0951}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_SIGMA_SW_MODEL|Examples|Examples that use this tag}} -..." (and the only contributor was "Karsai"))
- 08:30, 9 May 2019 Karsai talk contribs deleted page ML FF EPSILON LJ MODEL (content was: "{{TAGDEF|ML_FF_EPSILON_LJ_MODEL|[real]|0.0103407964}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_EPSILON_LJ_MODEL|Examples|Examples that use th..." (and the only contributor was "Karsai"))
- 08:30, 9 May 2019 Karsai talk contribs deleted page ML FF EPSILON SW MODEL (content was: "{{TAGDEF|ML_FF_EPSILON_SW_MODEL|[real]|2.1682051961}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_EPSILON_SW_MODEL|Examples|Examples that use th..." (and the only contributor was "Karsai"))
- 08:29, 9 May 2019 Karsai talk contribs deleted page ML FF ITYPE MODEL (content was: "{{TAGDEF|ML_FF_ITYPE_MODEL|[integer]|1}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_ITYPE_MODEL|Examples|Examples that use this tag}} ---- C..." (and the only contributor was "Karsai"))
- 08:24, 9 May 2019 Karsai talk contribs deleted page ML FF LMODEL ONLY (content was: "{{TAGDEF|ML_FF_LMODEL_ONLY|[logical]|.FALSE.}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_LMODEL_ONLY|Examples|Examples that use this tag}} ---..." (and the only contributor was "Karsai"))
- 08:24, 9 May 2019 Karsai talk contribs deleted page ML FF LMODEL (content was: "{{TAGDEF|ML_FF_LMODEL|[logical]|.FALSE.}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_LMODEL|Examples|Examples that use this tag}} ---- Categ..." (and the only contributor was "Karsai"))
- 08:23, 9 May 2019 Karsai talk contribs deleted page ML FF LERR (content was: "{{TAGDEF|ML_FF_LERR|[real]|.TRUE.}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_LERR|Examples|Examples that use this tag}} ---- Category:INCA..." (and the only contributor was "Karsai"))
- 08:22, 9 May 2019 Karsai talk contribs deleted page ML FF ISVD (content was: "{{TAGDEF|ML_FF_ISVD|[integer]|1}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_ISVD|Examples|Examples that use this tag}} ---- [[Category:INCAR]..." (and the only contributor was "Karsai"))
- 08:22, 9 May 2019 Karsai talk contribs deleted page ML FF IMAT SPARS (content was: "{{TAGDEF|ML_FF_IMAT_SPARS|[integer]|1}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_IMAT_SPARS|Examples|Examples that use this tag}} ---- Cat..." (and the only contributor was "Karsai"))
- 08:21, 9 May 2019 Karsai talk contribs undeleted page ML FF CTIFOR (1 revision restored)
- 08:21, 9 May 2019 Karsai talk contribs undeleted page ML FF CSLOPE (1 revision restored)
- 08:20, 9 May 2019 Karsai talk contribs undeleted page ML FF CSF (2 revisions restored)
- 08:19, 9 May 2019 Karsai talk contribs deleted page ML FF CTIFOR (content was: "{{TAGDEF|ML_FF_CTIFOR|[real]|<math> 10^{-16}</math>}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_CTIFOR|Examples|Examples that use this tag}} -..." (and the only contributor was "Karsai"))
- 08:19, 9 May 2019 Karsai talk contribs deleted page ML FF CSLOPE (content was: "{{TAGDEF|ML_FF_CSLOPE|[real]|<math>10^{-1}</math>}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_CSLOPE|Examples|Examples that use this tag}} ---..." (and the only contributor was "Karsai"))
- 08:19, 9 May 2019 Karsai talk contribs deleted page ML FF CSIG (content was: " {{TAGDEF|ML_FF_CSIG|[real]|<math>2\times10^{-1}</math>}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_CSIG|Examples|Examples that use this tag}}..." (and the only contributor was "Karsai"))
- 08:18, 9 May 2019 Karsai talk contribs deleted page ML FF CSF (content was: " {{TAGDEF|ML_FF_CSF|[real]|<math>2 \times 10^{-2}</math>}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_CSF|Examples|Examples that use this tag}}..." (and the only contributor was "Karsai"))