All public logs

Combined display of all available logs of VASP Wiki. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).

• 13:42, 16 October 2024 Hampel talk contribs created page Construction: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}}")
• 07:47, 16 October 2024 Hampel talk contribs created page Construction: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...")