ML FF SION2 MB
Description: This tag specifies the width of the Gaussian functions used for broadening the atomic distributions of the angular descriptor within the machine learning force field method.
The unit of ML_FF_SION2_MB is in . Test calculations showed that a 1.5 smaller value for the broadening of the radial descriptor compared to the angular descriptor (see ML_FF_SION2_MB) gives optimal results. This tag is not used if ML_FF_IBROAD1_MB=1 (which is not the default).