ML_ABN

From VASP Wiki
The printable version is no longer supported and may have rendering errors. Please update your browser bookmarks and please use the default browser print function instead.

In context of the machine-learned force fields method this file serves as an output for the collected training data set. When running VASP with ML_MODE = train, select it is automatically written out whenever a learning step is performed. The file format is shared with the ML_AB input file, for further details please have a look at the ML_AB Wiki entry. An ML_ABN file can be reused as a starting point for continuation runs (ML_MODE = train) and local reference configuration re-selection runs (ML_MODE = select) simply by renaming (or copying) it to ML_AB.