User contributions for Schlipf
25 February 2025
- 07:4407:44, 25 February 2025 diff hist +439 Construction:Smearing technique No edit summary
24 February 2025
- 16:3416:34, 24 February 2025 diff hist +82 Construction:Smearing technique No edit summary
- 16:3316:33, 24 February 2025 diff hist +179 Construction:Smearing technique No edit summary
- 16:2716:27, 24 February 2025 diff hist +863 Construction:Smearing technique No edit summary
- 16:1416:14, 24 February 2025 diff hist +68 Construction:Smearing technique No edit summary
- 16:1316:13, 24 February 2025 diff hist 0 File:Dos-gauss-tetra.png Schlipf uploaded a new version of File:Dos-gauss-tetra.png current
- 16:1216:12, 24 February 2025 diff hist +153 Construction:Smearing technique No edit summary
- 16:0716:07, 24 February 2025 diff hist 0 N File:Dos-gauss-tetra.png No edit summary
- 16:0716:07, 24 February 2025 diff hist +54 Construction:Smearing technique No edit summary
- 15:3415:34, 24 February 2025 diff hist +20 ISMEAR No edit summary
- 15:3215:32, 24 February 2025 diff hist +191 ISMEAR →Tag options
- 15:2815:28, 24 February 2025 diff hist +800 Construction:Smearing technique No edit summary
- 14:2514:25, 24 February 2025 diff hist 0 N File:Smearing.png No edit summary current
- 14:2514:25, 24 February 2025 diff hist +540 Construction:Smearing technique No edit summary
- 11:0611:06, 24 February 2025 diff hist +450 Construction:Smearing technique No edit summary
- 10:5610:56, 24 February 2025 diff hist +4,003 N Construction:Smearing technique Created page with " == How to set ISMEAR == For the calculation of the ''total energy'' in bulk materials, we recommend the tetrahedron method with Blöchl corrections ({{TAG|ISMEAR}}=-5). This method also gives a good account of the electronic density of states (DOS). The only drawback is that the method is not variational with respect to the partial occupancies. Therefore the calculated forces and the stress tensor can be wrong by up to 5 to 10% for metals..."
- 10:4810:48, 24 February 2025 diff hist +7 ISMEAR →Tag options
- 10:4110:41, 24 February 2025 diff hist +257 Smearing technique No edit summary
- 10:3910:39, 24 February 2025 diff hist +1 ISMEAR →Related tags and articles
- 10:3910:39, 24 February 2025 diff hist −3,647 ISMEAR No edit summary
- 10:3910:39, 24 February 2025 diff hist +3,746 N Smearing technique Created page with " == How to set ISMEAR == For the calculation of the ''total energy'' in bulk materials, we recommend the tetrahedron method with Blöchl corrections ({{TAG|ISMEAR}}=-5). This method also gives a good account of the electronic density of states (DOS). The only drawback is that the method is not variational with respect to the partial occupancies. Therefore the calculated forces and the stress tensor can be wrong by up to 5 to 10% for metals..."
- 10:3410:34, 24 February 2025 diff hist +1 ISMEAR →Tag options
- 10:2910:29, 24 February 2025 diff hist −419 ISMEAR →Tag options
- 10:2310:23, 24 February 2025 diff hist +612 FERWE No edit summary
- 10:1310:13, 24 February 2025 diff hist +119 FERWE No edit summary
- 10:0210:02, 24 February 2025 diff hist −1,233 ISMEAR →Tag options
- 10:0010:00, 24 February 2025 diff hist +880 FERWE No edit summary
- 09:5909:59, 24 February 2025 diff hist −393 FERDO No edit summary current
- 09:3909:39, 24 February 2025 diff hist 0 Integrating over all orbitals →Improved functional form by Methfessel and Paxton
21 February 2025
- 12:2812:28, 21 February 2025 diff hist +66 Known issues No edit summary
- 11:3011:30, 21 February 2025 diff hist +409 Known issues No edit summary
17 February 2025
- 10:0710:07, 17 February 2025 diff hist +19 IBRION No edit summary current
19 December 2024
- 13:2313:23, 19 December 2024 diff hist 0 Category:Dielectric properties →Dielectric function
- 13:2313:23, 19 December 2024 diff hist 0 N File:Exciton.png No edit summary current
- 13:2213:22, 19 December 2024 diff hist +4 Category:Dielectric properties →Dielectric function
- 13:1713:17, 19 December 2024 diff hist +170 Category:Dielectric properties No edit summary
- 08:2208:22, 19 December 2024 diff hist +24 LSYNCH5 No edit summary current
- 08:2108:21, 19 December 2024 diff hist +69 PLUGINS/MACHINE LEARNING →Related tags and articles current
- 08:2108:21, 19 December 2024 diff hist +62 PLUGINS/STRUCTURE →Related tags and articles current
- 08:2108:21, 19 December 2024 diff hist +64 PLUGINS/OCCUPANCIES →Related tags and articles current
- 08:2008:20, 19 December 2024 diff hist +68 PLUGINS/LOCAL POTENTIAL →Related tags and articles current
- 08:1908:19, 19 December 2024 diff hist +69 PLUGINS/FORCE AND STRESS No edit summary current
- 08:1808:18, 19 December 2024 diff hist +644 N LSYNCH5 Created page with "{{TAGDEF|LSYNCH5|[logical]|.FALSE.}} Description: {{TAG|LSYNCH5}} determines whether the output in {{FILE|vaspout.h5}} is always synchronized with the VASP code. ----- If you set this flag, VASP will enable single-writer-multiple-reader mode for the HDF5 file. This allows you to monitor the output using {{py4vasp}} while the calculation is still running. {{NB|mind|Synchronizing the HDF5 file continuously comes with a computational cost. Please do your own testing whet..."
- 08:1408:14, 19 December 2024 diff hist +8 Changelog →IMPROVEMENT
- 08:1108:11, 19 December 2024 diff hist +20 Plugins →Related tags
- 08:1008:10, 19 December 2024 diff hist +214 Plugins →Python scripting
- 08:0708:07, 19 December 2024 diff hist +1,752 N PLUGINS/MACHINE LEARNING Created page with "{{TAGDEF|PLUGINS/MACHINE_LEARNING| .True. {{!}} .False.|.False.}} Description: {{TAG|PLUGINS/MACHINE_LEARNING}} calls the Python plugin for the machine learning interface for each ionic relaxation step ---- When {{TAG|PLUGINS/MACHINE_LEARNING}}=.TRUE., VASP calls the <code>machine_learning</code> Python function at the end of each ionic relaxation step. You can use this tag to replace VASP forces and the stress tensor to represent an external machine-learned interatom..."
18 December 2024
- 15:2915:29, 18 December 2024 diff hist −79 PLUGINS/STRUCTURE No edit summary
- 15:2515:25, 18 December 2024 diff hist +31 N Construction:PLUGINS/STRUCTURE Schlipf moved page Construction:PLUGINS/STRUCTURE to PLUGINS/STRUCTURE current Tag: New redirect
- 15:2515:25, 18 December 2024 diff hist 0 m PLUGINS/STRUCTURE Schlipf moved page Construction:PLUGINS/STRUCTURE to PLUGINS/STRUCTURE