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

ML FF SIGV0 MB

From Vaspwiki
Jump to navigationJump to search

ML_FF_SIGV0_MB = [real]
Default: ML_FF_SIGV0_MB = 1.0 

Description: This flag sets the initial reversed and squared noise parameter in the machine learning force field method.


For the optimization of the optimization of the reverse and squared noise parameter see following section: On-the-fly machine learning force field generation using Bayesian linear regression.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_IREG_MB, ML_FF_SIGW0_MB

Examples that use this tag