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User contributions for Wolloch

For Wolloch talk block log uploads logs

13:5113:51, 18 December 2024 diff hist +23‎ LSEPB ‎No edit summary current
13:5113:51, 18 December 2024 diff hist +16‎ LSEPK ‎No edit summary current
13:4913:49, 18 December 2024 diff hist −7‎ LSEPB ‎ →‎Related tags and articles
11:2911:29, 18 December 2024 diff hist −7‎ KPUSE ‎ →‎Related tags and articles current
11:2911:29, 18 December 2024 diff hist −7‎ EINT ‎ →‎Related tags and articles current
11:2911:29, 18 December 2024 diff hist −7‎ NBMOD ‎ →‎Related tags and articles current Tag: Manual revert
11:2811:28, 18 December 2024 diff hist −7‎ IBAND ‎No edit summary current
11:2811:28, 18 December 2024 diff hist −14‎ LPARD ‎No edit summary current
11:2711:27, 18 December 2024 diff hist +37‎ LPARDH5 ‎No edit summary
11:2311:23, 18 December 2024 diff hist +794‎ N LPARDH5 ‎ Created page with "{{TAGDEF|LPARDH5|[logical]|.FALSE.}} Description: Determines whether partial (band and/or '''k'''-point-decomposed) charge densities are written to {{FILE|vaspout.h5}} instead of {{FILE|PARCHG}}. {{NB|mind|This tag is only available as of VASP.6.5.0.}} ---- IF {{TAG|LPARDH5}} = .TRUE., the partial charge density from a post-processing run with {{TAG|LPARD}} = .TRUE. can be analyzed with {{py4vasp}}. E.g. for the simulation of scanning tunneling microscopy (STM) images...."
11:0211:02, 18 December 2024 diff hist −5‎ Partial charge densities and STM simulations ‎ →‎Input tags for selecting and writing the partial charges
10:5810:58, 18 December 2024 diff hist +47‎ Partial charge densities and STM simulations ‎ →‎Input tags for selecting and writing the partial charges
10:5610:56, 18 December 2024 diff hist +66‎ Partial charge densities and STM simulations ‎ →‎Input tags for selecting and writing the partial charges
09:5209:52, 18 December 2024 diff hist +18‎ N Construction:EFOR ‎ Wolloch moved page Construction:EFOR to EFOR current Tag: New redirect
09:5209:52, 18 December 2024 diff hist 0‎ m EFOR ‎ Wolloch moved page Construction:EFOR to EFOR
09:5109:51, 18 December 2024 diff hist −7‎ EFOR ‎ →‎Related Tags and Sections

07:1607:16, 22 October 2024 diff hist +25‎ SIGMA ‎ →‎Related tags and articles
07:1607:16, 22 October 2024 diff hist +25‎ ISMEAR ‎ →‎Related tags and articles

09:4309:43, 21 October 2024 diff hist +230‎ EFOR ‎ →‎Example
09:2809:28, 21 October 2024 diff hist −6‎ EFOR ‎ →‎Example
09:2709:27, 21 October 2024 diff hist +1‎ EFOR ‎ →‎Example
09:2709:27, 21 October 2024 diff hist −8‎ EFOR ‎ →‎Example
09:2609:26, 21 October 2024 diff hist +2,839‎ EFOR ‎No edit summary

16:1616:16, 18 October 2024 diff hist +569‎ EFOR ‎ →‎Example

10:0710:07, 17 October 2024 diff hist +7‎ EFOR ‎ →‎Related Tags and Sections

10:0010:00, 14 October 2024 diff hist 0‎ EFOR ‎No edit summary

13:2613:26, 26 June 2024 diff hist +7‎ m Preparing a POTCAR ‎ →‎Related tags and sections current

15:0615:06, 14 June 2024 diff hist +26‎ Partial charge densities and STM simulations ‎No edit summary
11:5311:53, 14 June 2024 diff hist +14‎ LSEPK ‎No edit summary
11:5211:52, 14 June 2024 diff hist +14‎ LSEPB ‎No edit summary
11:5011:50, 14 June 2024 diff hist 0‎ KPUSE ‎No edit summary
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
11:4011:40, 14 June 2024 diff hist +8‎ EINT ‎No edit summary
10:1910:19, 14 June 2024 diff hist 0‎ LPARD ‎No edit summary
10:1810:18, 14 June 2024 diff hist +14‎ IBAND ‎No edit summary
10:1310:13, 14 June 2024 diff hist −17‎ LPARD ‎No edit summary
10:0310:03, 14 June 2024 diff hist +4‎ Partial charge densities and STM simulations ‎ →‎Related tags and articles
09:3809:38, 14 June 2024 diff hist +182‎ EFOR ‎No edit summary
07:4207:42, 14 June 2024 diff hist −17‎ EFOR ‎ →‎Setting external forces
07:4007:40, 14 June 2024 diff hist +16‎ EFOR ‎No edit summary
07:2907:29, 14 June 2024 diff hist +639‎ MAGMOM ‎ →‎Examples
07:1107:11, 14 June 2024 diff hist +66‎ EFOR ‎No edit summary

14:2514:25, 13 June 2024 diff hist +584‎ 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 Partial charge densities and STM simulations ‎ →‎Step-by-step instructions for simulating an STM picture

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