ML AFILT2

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 [math]\displaystyle{ \eta_{l,a_{\mathrm{FILT}}}=\frac{1}{1+a_{\mathrm{FILT}} [l (l+1)]^{2}} }[/math]. The tag ML_FF_AFILT2_MB sets the parameter [math]\displaystyle{ a_{\mathrm{FILT}} }[/math].

Related Tags and Sections

ML_FF_LMLFF,ML_FF_LAFILT2_MB,ML_FF_IAFILT2_MB

Examples that use this tag

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