User contributions for Wolloch
18 October 2024
- 16:1616:16, 18 October 2024 diff hist +569 Construction:EFOR →Example current
17 October 2024
14 October 2024
- 10:0010:00, 14 October 2024 diff hist 0 Construction:EFOR No edit summary
26 June 2024
- 13:2613:26, 26 June 2024 diff hist +7 m Preparing a POTCAR →Related tags and sections current
25 June 2024
- 14:5714:57, 25 June 2024 diff hist +107 Preparing a POTCAR →Example for preparing a {{FILE|POTCAR}} for the Heusler alloy TiCo2Si
- 13:3113:31, 25 June 2024 diff hist 0 Preparing a POTCAR →Example for preparing a {{FILE|POTCAR}} for the Heusler alloy TiCo2Si
- 08:3108:31, 25 June 2024 diff hist 0 m Preparing a POTCAR →Example for preparing a {{FILE|POTCAR}} for the Heusler alloy TiCo2Si
14 June 2024
- 15:0615:06, 14 June 2024 diff hist +26 Construction:Partial charge densities and STM simulations No edit summary current
- 11:5311:53, 14 June 2024 diff hist +14 LSEPK No edit summary current
- 11:5211:52, 14 June 2024 diff hist +14 LSEPB No edit summary current
- 11:5011:50, 14 June 2024 diff hist 0 KPUSE No edit summary current
- 11:5011:50, 14 June 2024 diff hist +7 KPUSE No edit summary
- 11:4111:41, 14 June 2024 diff hist +7 NBMOD No edit summary current
- 11:4011:40, 14 June 2024 diff hist +8 EINT No edit summary current
- 10:1910:19, 14 June 2024 diff hist 0 LPARD No edit summary current
- 10:1810:18, 14 June 2024 diff hist +14 IBAND No edit summary current
- 10:1310:13, 14 June 2024 diff hist −17 LPARD No edit summary
- 10:0310:03, 14 June 2024 diff hist +4 Construction:Partial charge densities and STM simulations →Related tags and articles
- 09:3809:38, 14 June 2024 diff hist +182 Construction:EFOR No edit summary
- 07:4207:42, 14 June 2024 diff hist −17 Construction:EFOR →Setting external forces
- 07:4007:40, 14 June 2024 diff hist +16 Construction:EFOR No edit summary
- 07:2907:29, 14 June 2024 diff hist +639 MAGMOM →Examples
- 07:1107:11, 14 June 2024 diff hist +66 Construction:EFOR No edit summary
13 June 2024
- 14:2514:25, 13 June 2024 diff hist +584 Construction:Partial charge densities and STM simulations No edit summary
- 14:0414:04, 13 June 2024 diff hist +7 m File:STM Graphite exp sim.png No edit summary current Tag: Visual edit
- 13:5413:54, 13 June 2024 diff hist +518 N File:STM Graphite exp sim.png A combination of an experimental (left) STM image of Graphene, and a simulated one (using py4vasp). The experimental image was measured at ambient conditions (at room temperature, and in air), at the Department for Earth and Environmental Sciences, LMU, and Center for NanoScience (CeNS), Munich. The picture is in the public domain and was taken from Wiki Commons: https://commons.wikimedia.org/wiki/File:Graphite_ambient_STM.jpg The simulated image was produced by Michael Wolloch on June 13th...
- 13:4913:49, 13 June 2024 diff hist +939 Construction:Partial charge densities and STM simulations →Step-by-step instructions for simulating an STM picture
- 12:2712:27, 13 June 2024 diff hist +71 N Construction:Band-decomposed charge densities Wolloch moved page Construction:Band-decomposed charge densities to Construction:Partial charge densities and STM simulations: Should be easier to find. Will add a redirect from band-decomposed charge densities current Tag: New redirect
- 12:2712:27, 13 June 2024 diff hist 0 m Construction:Partial charge densities and STM simulations Wolloch moved page Construction:Band-decomposed charge densities to Construction:Partial charge densities and STM simulations: Should be easier to find. Will add a redirect from band-decomposed charge densities
- 10:2610:26, 13 June 2024 diff hist +91 m Construction:Partial charge densities and STM simulations No edit summary
- 10:1810:18, 13 June 2024 diff hist +271 Construction:Partial charge densities and STM simulations →Output files
- 10:0710:07, 13 June 2024 diff hist +38 m Construction:Partial charge densities and STM simulations →Related tags and articles
- 10:0310:03, 13 June 2024 diff hist 0 m LSEPB No edit summary
- 10:0210:02, 13 June 2024 diff hist +288 m LSEPK No edit summary
- 10:0110:01, 13 June 2024 diff hist +288 LSEPB No edit summary
- 09:5309:53, 13 June 2024 diff hist +34 m KPUSE →Related tags and articles
- 09:5209:52, 13 June 2024 diff hist +37 m EINT No edit summary
- 09:5009:50, 13 June 2024 diff hist +186 IBAND No edit summary
- 09:4409:44, 13 June 2024 diff hist +21 m NBMOD →Related tags and articles
- 09:4409:44, 13 June 2024 diff hist +26 NBMOD No edit summary
- 09:4109:41, 13 June 2024 diff hist +1 m Choosing pseudopotentials →Recommendations and advice
- 09:3109:31, 13 June 2024 diff hist +177 LPARD No edit summary
- 09:1909:19, 13 June 2024 diff hist +411 Choosing pseudopotentials →Recommendations and advice
- 08:5308:53, 13 June 2024 diff hist +146 Category:Pseudopotentials →Theory
- 08:0708:07, 13 June 2024 diff hist +172 Construction:Partial charge densities and STM simulations No edit summary
- 07:5807:58, 13 June 2024 diff hist +347 Construction:LPARDH5 No edit summary current
- 07:4907:49, 13 June 2024 diff hist +16 NBMOD No edit summary
- 07:0407:04, 13 June 2024 diff hist +6,904 N Construction:Partial charge densities and STM simulations Created page with "The partial (band-decomposed) charge density can be used to analyze the contributions of different orbitals or energy ranges to a specific region in real space. It helps in gaining insight and visualizing electronic, magnetic, or transport properties, and is especially important when simulating scanning tunneling microscopy (STM) images. In VASP, the calculation of partial charges is a quick post-processing step that is selected by setting {{TAG|LPARD}} = .TRUE. in the {..."
12 June 2024
- 15:4415:44, 12 June 2024 diff hist −2 Construction:LPARDH5 No edit summary
- 15:4315:43, 12 June 2024 diff hist +863 N Construction:LPARDH5 Created page with "{{TAGDEF|LPARDH5|[logical]|.FALSE.}} Description: {{TAG|LPARDH5}} determines whether the partial charges are written to {{FILE|PARCHG}} or {{FILE|vaspout.h5}}. {{NB|mind|This tag is only available as of VASP.6.5.0.}} ---- Partial charges can be calculated as a postprocessing step when {{TAG|LPARD}} = .TRUE.. The output is written to one or several {{FILE|PARCHG}} files if {{TAG|LPARDH5}}=.FALSE., and to {{FILE|vaspout.h5}} if {{TAG|L..."