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).
- 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...")