User contributions for Schlipf
2 February 2024
- 15:3615:36, 2 February 2024 diff hist +19 EFERMI →Fixed Fermi energy
- 15:3515:35, 2 February 2024 diff hist +188 EFERMI →Fixed Fermi energy
- 15:2515:25, 2 February 2024 diff hist +1 EFERMI No edit summary
- 15:2515:25, 2 February 2024 diff hist +1,132 EFERMI No edit summary
25 October 2023
- 10:3510:35, 25 October 2023 diff hist +543 Known issues No edit summary
20 October 2023
- 10:2710:27, 20 October 2023 diff hist +122 Improved dimer method No edit summary
- 10:2510:25, 20 October 2023 diff hist −199 Category:Improved dimer method Redirected page to Improved dimer method current Tag: New redirect
- 10:2410:24, 20 October 2023 diff hist −34 STEP SIZE No edit summary current
- 10:2410:24, 20 October 2023 diff hist −34 STEP MAX No edit summary current
- 10:2410:24, 20 October 2023 diff hist −34 MINROT No edit summary current
- 10:2410:24, 20 October 2023 diff hist −34 FINDIFF No edit summary
- 10:2310:23, 20 October 2023 diff hist −34 DIMER DIST No edit summary current
- 10:2310:23, 20 October 2023 diff hist −34 Improved dimer method No edit summary
- 10:2210:22, 20 October 2023 diff hist 0 Category:Transition states No edit summary
- 10:2210:22, 20 October 2023 diff hist +35 N Improved Dimer Method Schlipf moved page Improved Dimer Method to Improved dimer method current Tag: New redirect
- 10:2210:22, 20 October 2023 diff hist 0 m Improved dimer method Schlipf moved page Improved Dimer Method to Improved dimer method
- 10:2010:20, 20 October 2023 diff hist 0 Category:Mixing Changed redirect target from Category:Density Mixing to Category:Density mixing current Tag: Redirect target changed
- 10:1910:19, 20 October 2023 diff hist +31 Improved dimer method No edit summary
- 10:1810:18, 20 October 2023 diff hist +31 Nudged elastic bands No edit summary
- 10:0910:09, 20 October 2023 diff hist +31 SPRING No edit summary current
- 10:0810:08, 20 October 2023 diff hist 0 STEP SIZE No edit summary
- 10:0810:08, 20 October 2023 diff hist 0 STEP MAX No edit summary
- 10:0810:08, 20 October 2023 diff hist 0 MINROT No edit summary
- 10:0710:07, 20 October 2023 diff hist 0 FINDIFF No edit summary
- 10:0710:07, 20 October 2023 diff hist 0 DIMER DIST No edit summary
- 10:0710:07, 20 October 2023 diff hist 0 IMAGES No edit summary
- 10:0610:06, 20 October 2023 diff hist 0 SPRING No edit summary
- 10:0510:05, 20 October 2023 diff hist +118 Nudged elastic bands →Step 2
- 09:5909:59, 20 October 2023 diff hist −1 Optimizing the parallelization →Related tags an articles current
- 09:5909:59, 20 October 2023 diff hist +42 Optimizing the parallelization No edit summary
- 09:5609:56, 20 October 2023 diff hist +36 N Construction:Command line arguments Schlipf moved page Construction:Command line arguments to Command-line arguments current Tag: New redirect
- 09:5609:56, 20 October 2023 diff hist 0 m Command-line arguments Schlipf moved page Construction:Command line arguments to Command-line arguments current
- 09:5109:51, 20 October 2023 diff hist 0 The VASP Manual No edit summary
- 09:4909:49, 20 October 2023 diff hist 0 Nudged elastic bands No edit summary
- 09:4909:49, 20 October 2023 diff hist 0 Improved dimer method No edit summary Tag: Visual edit: Switched
- 09:4909:49, 20 October 2023 diff hist +41 N Category:Transition States Schlipf moved page Category:Transition States to Category:Transition states current Tag: New redirect
- 09:4909:49, 20 October 2023 diff hist 0 m Category:Transition states Schlipf moved page Category:Transition States to Category:Transition states
- 09:4809:48, 20 October 2023 diff hist +30 Intrinsic-reaction-coordinate calculations No edit summary
- 09:4709:47, 20 October 2023 diff hist +32 The VASP Manual No edit summary Tag: Visual edit: Switched
- 09:3809:38, 20 October 2023 diff hist −21 Nudged elastic bands No edit summary
- 09:3109:31, 20 October 2023 diff hist −19 Nudged elastic bands No edit summary
- 09:2809:28, 20 October 2023 diff hist +4 Nudged elastic bands No edit summary
- 09:2509:25, 20 October 2023 diff hist +1,159 Nudged elastic bands No edit summary
- 08:4808:48, 20 October 2023 diff hist +424 Nudged elastic bands No edit summary
- 08:3808:38, 20 October 2023 diff hist +34 N Category:Elastic band method Schlipf moved page Category:Elastic band method to Nudged elastic bands current Tag: New redirect
- 08:3708:37, 20 October 2023 diff hist −32 IMAGES No edit summary
- 08:3708:37, 20 October 2023 diff hist 0 Category:Transition states No edit summary
- 08:3608:36, 20 October 2023 diff hist −62 Category:Transition states No edit summary
- 08:2508:25, 20 October 2023 diff hist +97 Template:Cite No edit summary
- 08:2308:23, 20 October 2023 diff hist +554 Template:Cite No edit summary
- 08:1008:10, 20 October 2023 diff hist +4 IMAGES No edit summary
- 08:0708:07, 20 October 2023 diff hist +317 IMAGES →File handling
19 October 2023
- 13:4413:44, 19 October 2023 diff hist −250 IMAGES No edit summary
- 13:3513:35, 19 October 2023 diff hist +72 IMAGES →File handling
- 10:3110:31, 19 October 2023 diff hist −4,999 IMAGES No edit summary
- 10:1010:10, 19 October 2023 diff hist +178 Nudged elastic bands No edit summary
- 09:5109:51, 19 October 2023 diff hist +22 LDIPOL No edit summary
- 09:4409:44, 19 October 2023 diff hist −4 NELECT No edit summary
- 09:3809:38, 19 October 2023 diff hist −18 NELECT →Use in the context of charged calculations
- 09:3109:31, 19 October 2023 diff hist −4 NELECT No edit summary
18 October 2023
- 11:1111:11, 18 October 2023 diff hist +1,499 IMAGES No edit summary
- 11:1011:10, 18 October 2023 diff hist +34 Nudged elastic bands No edit summary
- 11:0911:09, 18 October 2023 diff hist +2,561 N Nudged elastic bands Created page with "The nudged elastic band (NEB) method[1][2] is a technique used to calculate energy barriers in VASP. When employing this method, the SPRING parameter is set to a negative valu..."
- 10:4010:40, 18 October 2023 diff hist +7,404 N IMAGES Created page with "{{TAGDEF|IMAGES|[integer]|0}} Description: {{TAG|IMAGES}} defines how many instances of VASP are started. These instances execute VASP calculations in separate directories 01..."
- 10:3010:30, 18 October 2023 diff hist +88 Command-line arguments No edit summary
- 10:2510:25, 18 October 2023 diff hist +1,487 Command-line arguments →--dry-run / -n
- 09:5309:53, 18 October 2023 diff hist +169 Command-line arguments →--version / -v
- 09:4809:48, 18 October 2023 diff hist +146 Command-line arguments →--link-line / -l
- 09:4509:45, 18 October 2023 diff hist +158 Command-line arguments →--cpp-options / -c
- 09:4209:42, 18 October 2023 diff hist +309 Command-line arguments No edit summary
- 09:3009:30, 18 October 2023 diff hist +89 N Command-line arguments Created page with "== --cpp-options / -c == == --dry-run / -n == == --link-line / -l == == --version / -v =="
- 08:4408:44, 18 October 2023 diff hist −71 Computing the work function No edit summary
17 October 2023
- 14:5014:50, 17 October 2023 diff hist +41 BANDGAP No edit summary
- 14:4914:49, 17 October 2023 diff hist −2 BANDGAP No edit summary
- 13:4413:44, 17 October 2023 diff hist +1,576 BANDGAP No edit summary
- 13:2413:24, 17 October 2023 diff hist −6 BANDGAP No edit summary
- 13:2113:21, 17 October 2023 diff hist −11 BANDGAP No edit summary
- 13:1813:18, 17 October 2023 diff hist +1,744 BANDGAP No edit summary
- 12:2612:26, 17 October 2023 diff hist −49 Category:INCAR Redirected page to Category:INCAR tag current Tags: New redirect Visual edit: Switched
- 12:2112:21, 17 October 2023 diff hist +36 BANDGAP No edit summary
- 12:2012:20, 17 October 2023 diff hist −1 BANDGAP No edit summary
- 12:2012:20, 17 October 2023 diff hist +5 BANDGAP No edit summary
- 12:1912:19, 17 October 2023 diff hist +266 BANDGAP No edit summary
- 12:0512:05, 17 October 2023 diff hist −1,551 BANDGAP No edit summary
- 11:5611:56, 17 October 2023 diff hist +3 BANDGAP No edit summary
- 11:5311:53, 17 October 2023 diff hist +324 BANDGAP No edit summary
- 11:4411:44, 17 October 2023 diff hist +114 N File:Bandgap.png Illustrates how the relative position of two bands changes a system from a semiconductor to a metal. current
- 11:3911:39, 17 October 2023 diff hist +114 N File:Bandgap.pdf Illustrates how the relative position of two bands changes a system from a semiconductor to a metal. current
- 11:3411:34, 17 October 2023 diff hist +2,542 N BANDGAP Created page with "{{TAGDEF|BANDGAP|COMPACT {{!}} WEIGHT {{!}} KPOINT|COMPACT}} Description: {{TAG|BANDGAP}} determines the verbosity of the output for reporting the bandgap to the OUTCAR file...."
12 October 2023
- 12:0512:05, 12 October 2023 diff hist −1 Template:Cite remove whitespace
6 July 2023
- 13:2013:20, 6 July 2023 diff hist +29 The VASP Manual →Featured topics
14 June 2023
- 12:3112:31, 14 June 2023 diff hist +11 PRECFOCK No edit summary
- 12:3112:31, 14 June 2023 diff hist −12 PREC No edit summary Tag: Visual edit
- 12:3012:30, 14 June 2023 diff hist −4 PRECFOCK No edit summary
30 May 2023
- 08:2008:20, 30 May 2023 diff hist +42 EFERMI No edit summary Tag: Visual edit
- 08:1408:14, 30 May 2023 diff hist −15 EFERMI No edit summary
12 May 2023
- 20:5220:52, 12 May 2023 diff hist −368 O atom →stdout current
- 20:4920:49, 12 May 2023 diff hist +1,767 N Template:SNIPPET Created page with "<includeonly><div class="snippet"> {{{1}}} {{{2}}} </div></includeonly><noinclude> == Example == {{SNIPPET| running on 8 total cores distrk: each k-point on 8 cores,..." current
- 20:4720:47, 12 May 2023 diff hist +403 N Template:Stdout Created page with ":{| cellpadding="5" cellspacing="0" border="1" |N|| iteration count |- |E|| total energy |- |dE|| change of total energy |- |d eps|| change of the eigenvalues (fixed potentia..." current
28 February 2023
- 12:1012:10, 28 February 2023 diff hist −2 Known issues No edit summary
- 10:3510:35, 28 February 2023 diff hist +727 Known issues No edit summary
20 February 2023
- 14:2814:28, 20 February 2023 diff hist +20 N VASP Wiki:EFERMI Schlipf moved page Vaspwiki:EFERMI to EFERMI current Tag: New redirect
- 14:2814:28, 20 February 2023 diff hist 0 m EFERMI Schlipf moved page Vaspwiki:EFERMI to EFERMI
- 14:2714:27, 20 February 2023 diff hist +29 N Construction:EFERMI Schlipf moved page Construction:EFERMI to Vaspwiki:EFERMI current Tag: New redirect
- 14:2714:27, 20 February 2023 diff hist 0 m EFERMI Schlipf moved page Construction:EFERMI to Vaspwiki:EFERMI
23 January 2023
- 14:0214:02, 23 January 2023 diff hist +548 Known issues No edit summary
- 13:4913:49, 23 January 2023 diff hist +143 EFIELD No edit summary current
30 September 2022
26 July 2022
- 07:5607:56, 26 July 2022 diff hist +301 Category:Parallelization →MPI setup current
- 07:5507:55, 26 July 2022 diff hist 0 N File:Bad process binding.png No edit summary current
- 07:5507:55, 26 July 2022 diff hist 0 N File:Good process binding.png No edit summary current
- 07:4807:48, 26 July 2022 diff hist +61 Category:Parallelization →Communication patterns
- 07:4107:41, 26 July 2022 diff hist 0 N File:Communication2.png No edit summary current
- 07:4007:40, 26 July 2022 diff hist 0 File:Communication.png Schlipf uploaded a new version of File:Communication.png current
- 07:3507:35, 26 July 2022 diff hist 0 N File:Communication.png No edit summary
20 July 2022
- 06:4706:47, 20 July 2022 diff hist +4 LUSENCCL No edit summary
19 July 2022
- 15:3215:32, 19 July 2022 diff hist +51 NCSHMEM No edit summary
- 15:3015:30, 19 July 2022 diff hist +281 N LUSENCCL Created page with "{{TAGDEF|LUSENCCL|[integer]|1 }} Description: {{TAG|LUSENCCL}} allows to deactivate the NVIDIA Collective Communications Library (NCCL) during runtime when the code was compi..."
- 15:2615:26, 19 July 2022 diff hist +2 NCSHMEM No edit summary
- 15:2615:26, 19 July 2022 diff hist +228 N NCSHMEM Created page with "{{TAGDEF|NCORE|[integer]|1 }} Description: {{TAG|NCSHMEM}} determines the number of compute cores sharing the memory. ---- Category:PerformanceCategory:VASP6Categ..."
- 15:2115:21, 19 July 2022 diff hist +53 Category:Parallelization →File handling
- 15:1415:14, 19 July 2022 diff hist +228 N NCORES PER BAND Created page with "{{TAGDEF|NCORES_PER_BAND|[integer]|1}} Description: {{TAG|NCORES_PER_BAND}} determines the number of compute cores that work on an individual orbital. {{NB|deprecated|Use the..." current
- 15:0915:09, 19 July 2022 diff hist +704 Category:Parallelization →Theory
- 15:0515:05, 19 July 2022 diff hist −1 VCAIMAGES No edit summary current
- 15:0215:02, 19 July 2022 diff hist −1,050 VCAIMAGES No edit summary
- 08:3308:33, 19 July 2022 diff hist +882 Category:Parallelization →Theory
20 June 2022
- 06:0306:03, 20 June 2022 diff hist +1 Calculation of dimers No edit summary current Tag: Visual edit: Switched
2 June 2022
- 07:5807:58, 2 June 2022 diff hist +212 Category:Output files No edit summary
- 07:5407:54, 2 June 2022 diff hist +442 N LH5 Created page with "{{TAGDEF|LH5|[logical]|.FALSE.}} Description: {{TAG|LH5}} determines whether the output is written to the legacy files ({{FILE|CHGCAR}}, {{FILE|CHG}}, {{FILE|WAVECAR}}) or th..." current
- 07:4907:49, 2 June 2022 diff hist +23 LCHARG No edit summary current Tag: Visual edit: Switched
- 07:4807:48, 2 June 2022 diff hist +13 LWAVE →Related tags and articles current Tag: Visual edit: Switched
- 07:4707:47, 2 June 2022 diff hist +10 LWAVE No edit summary Tag: Visual edit: Switched
- 07:4707:47, 2 June 2022 diff hist +13 LCHARGH5 →Related tags and articles current
- 07:4607:46, 2 June 2022 diff hist +395 N LWAVEH5 Created page with "{{TAGDEF|LWAVE|[logical]|{{TAG|LH5}}}} Description: {{TAG|LWAVEH5}} determines whether the wavefunctions are written to {{FILE|vaspwave.h5}} file at the end of a run. == Rel..." current
- 07:4507:45, 2 June 2022 diff hist +1 LWAVE No edit summary
- 07:4507:45, 2 June 2022 diff hist +2 LCHARG No edit summary Tag: Visual edit: Switched
- 07:4407:44, 2 June 2022 diff hist +375 N LCHARGH5 Created page with "{{TAGDEF|LCHARGH5|[logical]|{{TAG|LH5}}}} Description: {{TAG|LCHARGH5}} determines whether the charge densities are written to {{FILE|vaspwave.h5}}. == Related tags and arti..."
- 07:4307:43, 2 June 2022 diff hist +36 LCHARG →Related tags and articles
- 07:4207:42, 2 June 2022 diff hist +4 LWAVE →Related tags and articles Tag: Visual edit
- 07:4107:41, 2 June 2022 diff hist +32 LWAVE No edit summary
30 May 2022
- 13:3513:35, 30 May 2022 diff hist −1 m NBANDS →Many-body perturbation theory calculatioins current Tag: Visual edit
25 May 2022
- 06:5506:55, 25 May 2022 diff hist +4 Optimizing the parallelization →Optimizing the parallelization
- 06:4906:49, 25 May 2022 diff hist +369 Optimizing the parallelization →Optimizing the parallelization
12 May 2022
- 15:2715:27, 12 May 2022 diff hist 0 Category:Parallelization →Theory
- 15:2715:27, 12 May 2022 diff hist +1 Category:Parallelization →Theory
- 15:2615:26, 12 May 2022 diff hist −22 Category:Parallelization →Optimizing the parallelization
- 15:2315:23, 12 May 2022 diff hist +74 Category:Parallelization →OpenMP/OpenACC
- 15:2115:21, 12 May 2022 diff hist −100 Category:Parallelization →Optimizing the parallelization
- 15:1615:16, 12 May 2022 diff hist +5 Category:Parallelization →MPI setup
- 15:1415:14, 12 May 2022 diff hist −2 Category:Parallelization →MPI setup
- 15:1315:13, 12 May 2022 diff hist −3 Category:Parallelization →Basic parallelization
- 15:1315:13, 12 May 2022 diff hist +1,740 Category:Parallelization →Terminology in high-performance computing (HPC)
- 14:3814:38, 12 May 2022 diff hist +208 Category:Parallelization No edit summary
27 April 2022
- 07:5907:59, 27 April 2022 diff hist +2 KPOINTS No edit summary
- 07:5407:54, 27 April 2022 diff hist +14 KPOINTS →Generalized regular meshes
- 07:3007:30, 27 April 2022 diff hist −643 KPOINTS →Generalized regular meshes
8 April 2022
- 15:1415:14, 8 April 2022 diff hist +26 KPOINTS No edit summary
- 14:1214:12, 8 April 2022 diff hist +21 KPOINTS No edit summary
- 13:5613:56, 8 April 2022 diff hist +42 KPOINTS →Generalized regular meshes
- 13:5413:54, 8 April 2022 diff hist +87 KPOINTS →Automatic k-point mesh
- 13:5213:52, 8 April 2022 diff hist −640 KPOINTS →Automatic k-point mesh
- 13:2913:29, 8 April 2022 diff hist −267 KPOINTS No edit summary
- 13:2413:24, 8 April 2022 diff hist +1 KPOINTS →Automatic k-mesh generation
- 13:2313:23, 8 April 2022 diff hist −314 KPOINTS →Band-structure calculations
- 12:4512:45, 8 April 2022 diff hist +139 KPOINTS →Band-structure calculations
- 12:1612:16, 8 April 2022 diff hist +404 KPOINTS →Band-structure calculations
- 11:5411:54, 8 April 2022 diff hist 0 KPOINTS No edit summary
- 11:4011:40, 8 April 2022 diff hist −4,867 Parallelization Redirected page to Category:Parallelization current Tags: New redirect Visual edit: Switched
- 11:3411:34, 8 April 2022 diff hist +29 N Category:Parallelization Schlipf moved page Construction:Parallelization to Parallelization Tag: New redirect
- 11:3411:34, 8 April 2022 diff hist 0 m Parallelization Schlipf moved page Construction:Parallelization to Parallelization
- 11:3311:33, 8 April 2022 diff hist −4 Parallelization No edit summary
- 11:2911:29, 8 April 2022 diff hist −12 KPOINTS →Symmetry reduction of the mesh
- 11:2811:28, 8 April 2022 diff hist +12 KPOINTS →Symmetry reduction of the mesh
- 11:2611:26, 8 April 2022 diff hist −517 KPOINTS →Symmetry reduction of the mesh
- 11:1111:11, 8 April 2022 diff hist −916 KPOINTS →Symmetry reduction of the mesh
- 09:5609:56, 8 April 2022 diff hist +1,350 KPOINTS →Symmetry reduction of the mesh
- 09:2509:25, 8 April 2022 diff hist +2,764 KPOINTS →Symmetry reduction of the mesh
- 07:0707:07, 8 April 2022 diff hist −1 KPOINTS No edit summary
- 07:0407:04, 8 April 2022 diff hist +1 KPOINTS →Coordinate system
- 07:0307:03, 8 April 2022 diff hist +1 KPOINTS →Coordinate system
- 07:0207:02, 8 April 2022 diff hist +5 KPOINTS →Coordinate system
- 07:0007:00, 8 April 2022 diff hist −3 KPOINTS →Coordinate system
- 07:0007:00, 8 April 2022 diff hist +5 KPOINTS →Coordinate system
- 07:0007:00, 8 April 2022 diff hist −147 KPOINTS →Coordinate system
- 06:4906:49, 8 April 2022 diff hist −24 KPOINTS →Symmetry reduction of the mesh
7 April 2022
- 19:5719:57, 7 April 2022 diff hist +64 KPOINTS →Regular k-point mesh
- 19:3519:35, 7 April 2022 diff hist −141 KPOINTS →Regular k-point mesh
- 18:0718:07, 7 April 2022 diff hist +8 KPOINTS →Explicit k-point mesh
- 18:0518:05, 7 April 2022 diff hist −7 KPOINTS →Explicit k-point mesh
- 18:0218:02, 7 April 2022 diff hist 0 KPOINTS →Coordinate system
- 15:3115:31, 7 April 2022 diff hist +27 LORBIT No edit summary
- 15:3115:31, 7 April 2022 diff hist +27 KPOINTS OPT No edit summary
- 15:3015:30, 7 April 2022 diff hist −1 KPOINTS No edit summary
- 15:2915:29, 7 April 2022 diff hist +28 KPOINTS No edit summary
- 15:2815:28, 7 April 2022 diff hist 0 KPOINTS No edit summary
- 15:2715:27, 7 April 2022 diff hist −50 KPOINTS →Coordinate system
- 15:2415:24, 7 April 2022 diff hist −61 KPOINTS →Coordinate system
- 15:0515:05, 7 April 2022 diff hist +96 KPOINTS →Coordinate system
- 14:5714:57, 7 April 2022 diff hist +1 KPOINTS →Coordinate system
- 14:5714:57, 7 April 2022 diff hist 0 KPOINTS →Coordinate system
- 14:5614:56, 7 April 2022 diff hist +343 KPOINTS →Coordinate system
- 14:4914:49, 7 April 2022 diff hist −2 KPOINTS →Explicit k-point mesh
- 14:4914:49, 7 April 2022 diff hist −4,141 KPOINTS No edit summary
- 14:4714:47, 7 April 2022 diff hist −360 KPOINTS →Explicit k-point mesh
- 14:3714:37, 7 April 2022 diff hist −1 Template:Cite No edit summary
- 14:1214:12, 7 April 2022 diff hist +3,696 KPOINTS →Explicit k-point mesh
- 14:0814:08, 7 April 2022 diff hist +144 Template:Cite No edit summary
- 14:0714:07, 7 April 2022 diff hist +128 Template:Cite No edit summary
- 12:5112:51, 7 April 2022 diff hist +23 KPOINTS No edit summary
- 12:4712:47, 7 April 2022 diff hist −5 KPOINTS →Entering all k-points explicitly
- 11:1411:14, 7 April 2022 diff hist +28 KPOINTS No edit summary
- 11:1411:14, 7 April 2022 diff hist +4 KPOINTS No edit summary
- 11:0911:09, 7 April 2022 diff hist −25 KPOINTS →Strings of k-points for bandstructure calculations
- 11:0811:08, 7 April 2022 diff hist −606 KPOINTS No edit summary
- 11:0311:03, 7 April 2022 diff hist −1 KPOINTS No edit summary
- 11:0311:03, 7 April 2022 diff hist +810 KPOINTS No edit summary
- 10:5610:56, 7 April 2022 diff hist +300 Template:Cite No edit summary
- 10:4310:43, 7 April 2022 diff hist +122 KPOINTS No edit summary
- 09:4509:45, 7 April 2022 diff hist +5 KPOINTS →Regular k-point mesh
- 09:4509:45, 7 April 2022 diff hist +496 KPOINTS No edit summary
- 08:5508:55, 7 April 2022 diff hist +117 Category:Interface pinning →How to
- 08:4708:47, 7 April 2022 diff hist −72 Category:Interface pinning No edit summary
- 08:4608:46, 7 April 2022 diff hist −2 Category:Interface pinning →How to
- 08:4008:40, 7 April 2022 diff hist +198 Category:Interface pinning No edit summary
- 07:3407:34, 7 April 2022 diff hist −31 RANDOM SEED No edit summary
6 April 2022
- 14:3014:30, 6 April 2022 diff hist +59 KPOINTS No edit summary
- 14:1714:17, 6 April 2022 diff hist +26,782 N KPOINTS Created page with "The {{FILE|KPOINTS}} file is used to specify the Bloch vectors (k-points) that will be used to sample the Brillouin zone in your calculation. There are several different ways..."
- 13:5413:54, 6 April 2022 diff hist +52 Performance issues, try NCORE, KPAR, ALGO, LREAL No edit summary current
- 13:4213:42, 6 April 2022 diff hist +146 Parallelization →Additional parallelization options
- 13:3813:38, 6 April 2022 diff hist +28 NCORE IN IMAGE1 No edit summary
- 13:3413:34, 6 April 2022 diff hist +115 Parallelization →Additional parallelization options
- 13:3113:31, 6 April 2022 diff hist −52 NATURALO No edit summary
- 13:2513:25, 6 April 2022 diff hist +447 Parallelization →OpenMP/OpenACC
- 13:1013:10, 6 April 2022 diff hist +180 Parallelization →Additional parallelization options
- 13:0413:04, 6 April 2022 diff hist +70 Parallelization →Optimizing the parallelization
- 13:0313:03, 6 April 2022 diff hist +946 Parallelization →Caveat about the MPI setup
- 12:3812:38, 6 April 2022 diff hist +1,805 Parallelization No edit summary
- 08:0508:05, 6 April 2022 diff hist +1,013 N Parallelization Created page with "For many complex problems, a single core is not enough to finish the calculation in a reasonable time. VASP makes use of parallel machines splitting the calculation into many..."
- 07:5807:58, 6 April 2022 diff hist +28 OpenACC GPU port of VASP No edit summary Tag: Visual edit: Switched
30 March 2022
- 13:0013:00, 30 March 2022 diff hist −9 EFERMI No edit summary
- 12:5812:58, 30 March 2022 diff hist +3 EFERMI No edit summary
- 12:5412:54, 30 March 2022 diff hist +73 EFERMI No edit summary
- 12:5312:53, 30 March 2022 diff hist +197 EFERMI No edit summary
- 08:0508:05, 30 March 2022 diff hist +1,151 N EFERMI Created page with "{{TAGDEF|EFERMI|MIDGAP {{!}} LEGACY {{!}} [real]|MIDGAP}} Description: Defines how the Fermi energy is calculated in VASP. ---- For semiconducting materials, the Fermi ener..."
- 07:5707:57, 30 March 2022 diff hist 0 EMIN No edit summary Tag: Visual edit: Switched
- 07:4007:40, 30 March 2022 diff hist +20 STOP ON No edit summary
23 March 2022
- 11:5211:52, 23 March 2022 diff hist −5 INCAR No edit summary
- 08:5108:51, 23 March 2022 diff hist +5 m INCAR No edit summary Tag: Visual edit
- 08:4608:46, 23 March 2022 diff hist +448 INCAR No edit summary Tag: Visual edit: Switched
2 November 2021
- 07:5807:58, 2 November 2021 diff hist +175 LOPTICS No edit summary Tag: Visual edit: Switched
21 June 2021
- 08:4608:46, 21 June 2021 diff hist +3 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations Tag: Visual edit
26 March 2021
- 11:4111:41, 26 March 2021 diff hist +717 N Construction talk:Wiki style guide Created page with "== Spelling == * I would prefer PAWs over PAW's. * I'm not so sure about {{VASP}} in small caps. Using a template is a good idea, though. == Footnotes, links and references..." current
15 February 2021
- 09:3409:34, 15 February 2021 diff hist +105 IVDW No edit summary Tag: Visual edit: Switched
9 September 2020
- 09:3809:38, 9 September 2020 diff hist −22 NSTORB No edit summary
- 09:3709:37, 9 September 2020 diff hist −22 MP2 No edit summary
21 February 2020
- 08:1508:15, 21 February 2020 diff hist +2 Fcc Si bandstructure →CALCULATION current
20 February 2020
- 15:2915:29, 20 February 2020 diff hist −1 O atom →stdout
- 15:2715:27, 20 February 2020 diff hist 0 O atom →stdout
14 January 2020
- 10:1510:15, 14 January 2020 diff hist +43 ISTART No edit summary
- 10:1410:14, 14 January 2020 diff hist +105 ISTART No edit summary
29 November 2019
- 13:5613:56, 29 November 2019 diff hist −3 NUPDOWN No edit summary
- 13:4913:49, 29 November 2019 diff hist +9 NUPDOWN No edit summary
28 November 2019
- 15:2715:27, 28 November 2019 diff hist +766 N 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..."
8 October 2019
- 16:1516:15, 8 October 2019 diff hist −1 ISMEAR No edit summary
23 August 2019
- 13:2413:24, 23 August 2019 diff hist +1 Liquid Si - MLFF →Obtaining a more accurate force field
- 13:1813:18, 23 August 2019 diff hist −16 Liquid Si - MLFF →Production runs using the optimized parameters
- 11:5711:57, 23 August 2019 diff hist −305 Liquid Si - MLFF →Optimizing weights of energy, forces and stress
- 11:4111:41, 23 August 2019 diff hist −587 Liquid Si - MLFF →Optimizing weights on energy, forces and stress
- 11:3711:37, 23 August 2019 diff hist +2 Liquid Si - MLFF →Obtaining more accurate force field
- 10:3910:39, 23 August 2019 diff hist −70 Liquid Si - MLFF →User task
- 10:3710:37, 23 August 2019 diff hist −308 Liquid Si - MLFF →Obtaining more accurate force field
- 09:4109:41, 23 August 2019 diff hist −206 Liquid Si - MLFF →Obtaining more accurate force field
22 August 2019
- 16:3116:31, 22 August 2019 diff hist +185 Liquid Si - MLFF →Structral properties of the force field
- 16:1016:10, 22 August 2019 diff hist +3 Liquid Si - MLFF →Structral properties of the force field
- 16:0916:09, 22 August 2019 diff hist −7,190 Liquid Si - MLFF →Structral properties of the force field
- 14:5214:52, 22 August 2019 diff hist +150 Liquid Si - MLFF →Structral properties of the force field
- 14:2714:27, 22 August 2019 diff hist +48 Liquid Si - MLFF No edit summary
- 14:2314:23, 22 August 2019 diff hist −3 Liquid Si - MLFF →Creating the liquid structure
- 13:4013:40, 22 August 2019 diff hist −13 Liquid Si - MLFF →{{TAG|POSCAR}}
- 13:3913:39, 22 August 2019 diff hist −312 Liquid Si - MLFF No edit summary
10 May 2019
- 13:0913:09, 10 May 2019 diff hist −794 LMIXTAU No edit summary
- 13:0913:09, 10 May 2019 diff hist +828 N Kinetic-energy density mixing Created page with "For the density mixing schemes to work reliably, the charge density mixer must be aware of all quantities that affect the total energy during the self-consistency cycle. For a..." current
- 13:0113:01, 10 May 2019 diff hist +36 LMIXTAU No edit summary
- 13:0013:00, 10 May 2019 diff hist +27 LMIXTAU No edit summary
- 12:4412:44, 10 May 2019 diff hist −280 MAGMOM No edit summary
- 12:2412:24, 10 May 2019 diff hist +25 Category:Electronic minimization →Theory
- 12:2312:23, 10 May 2019 diff hist +21 Category:Electronic minimization →Theory
- 12:2012:20, 10 May 2019 diff hist +30 Category:Density mixing No edit summary
- 12:1712:17, 10 May 2019 diff hist +639 Category:Density mixing No edit summary
- 12:1712:17, 10 May 2019 diff hist +143 Template:Cite No edit summary
- 12:0712:07, 10 May 2019 diff hist +150 Template:Cite No edit summary
- 11:0011:00, 10 May 2019 diff hist +1,057 Category:Density mixing No edit summary
- 11:0011:00, 10 May 2019 diff hist +183 Template:Cite No edit summary
- 09:3209:32, 10 May 2019 diff hist +86 Category:Density mixing No edit summary
- 09:3109:31, 10 May 2019 diff hist +32 Category:Density mixing No edit summary
- 09:2509:25, 10 May 2019 diff hist +82 N Category:Density mixing Created page with "Category:Electronic MinimizationCategory:Density MixingCategory:Theory"
- 09:1609:16, 10 May 2019 diff hist +38 N Category:Mixing Schlipf moved page Category:Mixing to Category:Density Mixing
- 09:1509:15, 10 May 2019 diff hist +8 WC No edit summary
- 09:1509:15, 10 May 2019 diff hist +8 MIXPRE No edit summary
- 09:1409:14, 10 May 2019 diff hist +8 MAXMIX No edit summary
- 09:1409:14, 10 May 2019 diff hist +8 INIMIX No edit summary
- 09:1409:14, 10 May 2019 diff hist +8 IMIX No edit summary
- 09:1409:14, 10 May 2019 diff hist +8 BMIX MAG No edit summary
- 09:1309:13, 10 May 2019 diff hist +8 BMIX No edit summary
- 09:1309:13, 10 May 2019 diff hist +8 AMIX MAG No edit summary
- 09:1209:12, 10 May 2019 diff hist +1 AMIN No edit summary
- 09:1209:12, 10 May 2019 diff hist +8 AMIX No edit summary
- 09:1209:12, 10 May 2019 diff hist +7 AMIN No edit summary
10 April 2019
- 08:1708:17, 10 April 2019 diff hist +1 Electron-phonon interactions theory No edit summary
- 08:0708:07, 10 April 2019 diff hist +2 Template:Reference No edit summary current
- 08:0108:01, 10 April 2019 diff hist 0 Template:Reference No edit summary
5 April 2019
- 10:5010:50, 5 April 2019 diff hist +46 User:Schlipf/common.css No edit summary current
- 10:4910:49, 5 April 2019 diff hist +39 N User:Schlipf/common.css Created page with "body { background-color: lightblue; }"
- 10:0810:08, 5 April 2019 diff hist +1 FAQ →Why is the cohesive energy much large than reported in other papers?
- 10:0110:01, 5 April 2019 diff hist +11 K-point integration No edit summary
- 09:3009:30, 5 April 2019 diff hist +18 Wrap-around errors No edit summary
15 March 2019
- 09:3209:32, 15 March 2019 diff hist +1 Template:Cite No edit summary
- 09:3109:31, 15 March 2019 diff hist +38 Template:Cite No edit summary
- 09:3009:30, 15 March 2019 diff hist +45 N Template:Topic Created page with "{{#ifeq: {{{show}}}|all|=== {{{title}}} ===}}" current
- 09:2109:21, 15 March 2019 diff hist +340 Template:Cite No edit summary
- 09:1709:17, 15 March 2019 diff hist +156 Template:Cite No edit summary
- 09:1609:16, 15 March 2019 diff hist +201 Template:Cite No edit summary
- 09:1409:14, 15 March 2019 diff hist +101 Template:Cite No edit summary
- 09:1309:13, 15 March 2019 diff hist +1 Template:Cite No edit summary
- 09:1209:12, 15 March 2019 diff hist +136 Template:Cite No edit summary
- 09:1109:11, 15 March 2019 diff hist −247 Template:Cite No edit summary
- 09:0609:06, 15 March 2019 diff hist +475 Template:Cite No edit summary
- 09:0109:01, 15 March 2019 diff hist −8 Template:Cite No edit summary
- 09:0109:01, 15 March 2019 diff hist +4 Template:Cite No edit summary
- 09:0109:01, 15 March 2019 diff hist −14 Template:Cite No edit summary
- 09:0109:01, 15 March 2019 diff hist −123 Template:Reference No edit summary
- 09:0009:00, 15 March 2019 diff hist −5 Template:Reference No edit summary
- 08:5808:58, 15 March 2019 diff hist +40 Template:Reference No edit summary
- 08:5708:57, 15 March 2019 diff hist +83 Template:Reference No edit summary
- 08:4708:47, 15 March 2019 diff hist +18 Template:Cite No edit summary
- 08:4308:43, 15 March 2019 diff hist +27 N Cite Schlipf moved page Cite to Template:Cite current
- 08:4308:43, 15 March 2019 diff hist 0 m Template:Cite Schlipf moved page Cite to Template:Cite
- 08:4308:43, 15 March 2019 diff hist +386 Template:Cite No edit summary
- 08:4008:40, 15 March 2019 diff hist −6 Template:Reference No edit summary
- 08:3808:38, 15 March 2019 diff hist +22 Template:Reference No edit summary
- 08:3508:35, 15 March 2019 diff hist −72 Template:Reference No edit summary
- 08:3108:31, 15 March 2019 diff hist +11 Template:Reference No edit summary
- 08:3008:30, 15 March 2019 diff hist +50 Template:Reference No edit summary
- 08:2808:28, 15 March 2019 diff hist +44 Template:Reference No edit summary
- 08:2608:26, 15 March 2019 diff hist +32 Template:Reference No edit summary
14 March 2019
- 17:1617:16, 14 March 2019 diff hist +2 Template:Reference No edit summary
- 17:1317:13, 14 March 2019 diff hist +3 Template:Reference No edit summary
- 17:0317:03, 14 March 2019 diff hist −19 Template:Reference No edit summary
- 17:0317:03, 14 March 2019 diff hist −2 Template:Reference No edit summary
- 16:5916:59, 14 March 2019 diff hist +4 Template:Reference No edit summary
- 16:5416:54, 14 March 2019 diff hist +19 Template:Reference No edit summary
- 16:5116:51, 14 March 2019 diff hist +33 N Template:Reference Created page with "<ref name={{{1}}}>[{{{2}}}]</ref>"
- 16:2516:25, 14 March 2019 diff hist +62 N Template:Cite Created page with "{{#expr: {{#ifeq: {{{1}}}|sun11|1}} or {{#ifeq: foo|all|1}} }}"
- 15:2615:26, 14 March 2019 diff hist +35 Category:Meta-GGA No edit summary
- 15:2015:20, 14 March 2019 diff hist −51 Category:Meta-GGA No edit summary
7 December 2018
- 15:5315:53, 7 December 2018 diff hist −302 XANES in Diamond →Step 4 Extraction of XAS Spectrum
- 15:0515:05, 7 December 2018 diff hist −29 XANES in Diamond No edit summary
- 14:4014:40, 7 December 2018 diff hist −73 XANES in Diamond improve language of step 1 & 2
- 14:1414:14, 7 December 2018 diff hist +172 XANES in Diamond improve language of Input section
- 11:2911:29, 7 December 2018 diff hist −39 XAS - Tutorial No edit summary