User contributions for Hampel

15:1115:11, 17 February 2025 diff hist +1,067‎ Vaspgamma.h5 ‎No edit summary
11:2111:21, 17 February 2025 diff hist −7‎ Vaspgamma.h5 ‎No edit summary
11:1611:16, 17 February 2025 diff hist +757‎ N Vaspgamma.h5 ‎ Created page with "The {{FILE|vaspgamma.h5}} file is an input file used when {{TAG|ICHARG}}=5 is set. It is read by VASP during an electronic minimization to incorporate additional occupation changes per k-point and orbital before calculating a new charge density. The file is only read when VASP is compiled with HDF5 support enabled and the {{FILE|GAMMA}} is not present. {{Available|6.5.0}} ---- {{NB|mind|When reading and writing from and to hdf5 archive..."
10:5910:59, 17 February 2025 diff hist +258‎ GAMMA ‎No edit summary current
10:5510:55, 17 February 2025 diff hist +23‎ GAMMA ‎ →‎Related tags and articles
10:5410:54, 17 February 2025 diff hist +259‎ GAMMA ‎No edit summary
10:4510:45, 17 February 2025 diff hist +107‎ ICHARG ‎No edit summary current
10:2810:28, 17 February 2025 diff hist +116‎ LDIPOL ‎No edit summary current
10:2510:25, 17 February 2025 diff hist +86‎ IDIPOL ‎No edit summary current
10:2210:22, 17 February 2025 diff hist +86‎ DIPOL ‎No edit summary current
10:1710:17, 17 February 2025 diff hist +57‎ DIPOL ‎ →‎Related tags and articles
09:5409:54, 17 February 2025 diff hist +248‎ DIPOL ‎No edit summary

13:4313:43, 16 October 2024 diff hist −16‎ Vasp.lock ‎No edit summary
13:4213:42, 16 October 2024 diff hist +376‎ N Vasp.lock ‎ Created page with "The {{FILE|vasp.lock}} file is only used in combination with the {{TAG|ICHARG}}=5 flag. In each SCF step before constructing the new charge density VASP checks if the {{FILE|vasp.lock}} file is present, and if not waits before continuing. The file is empty, and its content is not considered in any way by VASP. == Related tags and articles == {{TAG|ICHARG}}, {{FILE:GAMMA}}"
12:3712:37, 16 October 2024 diff hist −52‎ GAMMA ‎No edit summary
12:2112:21, 16 October 2024 diff hist −14‎ GAMMA ‎No edit summary
12:1712:17, 16 October 2024 diff hist +969‎ GAMMA ‎No edit summary
10:2610:26, 16 October 2024 diff hist +128‎ GAMMA ‎No edit summary
07:4707:47, 16 October 2024 diff hist +2,327‎ N GAMMA ‎ Created page with "The {{FILE|GAMMA}} file is an input file used with the {{TAG|ICHARG}}=5 tag. It's employed during electronic minimization to add occupations per k-point and orbital before calculating a new charge density. The file's format is structured as follows: 567 -1 ! Number of k-points, default number of bands 1 81 92 -0.88697620213424 -0.00000000000110 0.00952263319978 -0.00013538025816 -0.00003023919061 0.00036153047962 … 0.00952263319978 0.00013538025..."
07:4007:40, 16 October 2024 diff hist +1,455‎ ICHARG ‎No edit summary