Requests for technical support from the VASP group should be posted in the VASP-forum.
ML ISCALE TOTEN
ML_ISCALE_TOTEN = [integer]
Default: ML_ISCALE_TOTEN = 2
Description: This tag specifies how to scale the energy data in the machine learning force field method.
The following cases are possible:
- ML_ISCALE_TOTEN=1: The total energy is scaled to the total energy of the isolated atoms given by ML_EATOM_REF.
- ML_ISCALE_TOTEN=2: The total energy is scaled to the average of the training data. This is the default setting.