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

ML FF W2 MB

From Vaspwiki
Jump to navigationJump to search

ML_FF_W2_MB = [real]
Default: ML_FF_W2_MB = 1.0 

Description: This tag defines the weight for the angular descriptor within the machine learning force field method.


By default only this descriptor is used and weight for the radial descriptor (ML_FF_W1_MB) is set to 0.0.


Related Tags and Sections

ML_FF_LMLFF, ML_FF_W1_MB, ML_FF_ISOAP2_MB

Examples that use this tag