User contributions for Schlipf

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

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

10:0710:07, 17 February 2025 diff hist +19‎ IBRION ‎No edit summary current

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..."

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
15:2415:24, 18 December 2024 diff hist −7‎ PLUGINS/OCCUPANCIES ‎No edit summary
10:5410:54, 18 December 2024 diff hist −19‎ PLUGINS/LOCAL POTENTIAL ‎ →‎Related tags and articles
10:5410:54, 18 December 2024 diff hist −19‎ PLUGINS/FORCE AND STRESS ‎ →‎Related tags and articles
10:5310:53, 18 December 2024 diff hist −142‎ PLUGINS/LOCAL POTENTIAL ‎ →‎Modifying quantities

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