ML FF AFILT2 MB

ML_FF_AFILT2_MB = [real]
Default: ML_FF_AFILT2_MB = 0.002 

Description: This tag sets the filtering parameter for the angular filtering for ML_FF_IAFILT2_MB in the machine learning force field method.

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This tag is only used if ML_FF_LAFILT2_MB=.TRUE. and ML_FF_IAFILT2_MB=2 are used.

The angular filtering function for ML_FF_IAFILT2_MB=2 is described as $\eta _{{l,a_{{{\mathrm {FILT}}}}}}={\frac {1}{1+a_{{{\mathrm {FILT}}}}[l(l+1)]^{{2}}}}$. The tag ML_FF_AFILT2_MB sets the parameter $a_{{{\mathrm {FILT}}}}$.

Related Tags and Sections

ML_FF_LMLFF,ML_FF_LAFILT2_MB,ML_FF_IAFILT2_MB

Examples that use this tag

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