Requests for technical support from the VASP group should be posted in the VASP-forum.

# ML W1

ML_W1 = [real]
Default: ML_W1 = 0.1

Description: This tag defines the weight ${\displaystyle \beta }$ for the radial (and angular) descriptor within the machine learning force field method (see this section).

The weight for the angular descriptor ${\displaystyle W_{2}}$ is internally computed from the weight of the radial descriptor ${\displaystyle W_{1}}$ as:

${\displaystyle W_{2}=1.0-W_{1}.}$

The value for ML_W1 must be chosen in the interval ${\displaystyle [0,1]}$.

By default, the angular and radial descriptors are both used although the latter is weighed less. In principle a weight of 0 for one of them is selectable which allows the code to internally skip the respective computation. However, it is generally recommended to use both descriptors to achieve satisfying training results.