All public logs
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).
- 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...")