ML_AFILT2

From VASP Wiki

ML_AFILT2 = [real]
Default: ML_AFILT2 = 0.002 

Description: This tag sets the filtering parameter for the angular filtering for ML_IAFILT2 in the machine learning force field method.


This tag is only used if ML_LAFILT2=.TRUE. and ML_IAFILT2=2 are used.

The angular filtering function[1] for ML_IAFILT2=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_AFILT2 sets the parameter [math]\displaystyle{ a_{\mathrm{FILT}} }[/math].

References


Related tags and articles

ML_LMLFF, ML_LAFILT2, ML_IAFILT2

Examples that use this tag