User contributions for Schlipf

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

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

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

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...."

12:0512:05, 12 October 2023 diff hist −1‎ Template:Cite ‎ remove whitespace

13:2013:20, 6 July 2023 diff hist +29‎ The VASP Manual ‎ →‎Featured topics

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

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

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