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Difference between revisions of "ML FF AFILT2 MB"

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This tag is only used if {{TAG|ML_FF_LAFILT2_MB}}=''.TRUE.'' and {{TAG|ML_FF_IAFILT2_MB}}=2 are used.
 
This tag is only used if {{TAG|ML_FF_LAFILT2_MB}}=''.TRUE.'' and {{TAG|ML_FF_IAFILT2_MB}}=2 are used.
  
The angular filtering function{{cite|boyd:book:2000}} for {{TAG|ML_FF_IAFILT2_MB}}=2 is described as <math>\eta_{l,a_{\mathrm{FILT}}}=\frac{1}{1+a_{\mathrm{FILT}} [l (l+1)]^{2}} </math>. This tag sets the parameter <math>a_{\mathrm{FILT}}</math>.
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The angular filtering function{{cite|boyd:book:2000}} for {{TAG|ML_FF_IAFILT2_MB}}=2 is described as <math>\eta_{l,a_{\mathrm{FILT}}}=\frac{1}{1+a_{\mathrm{FILT}} [l (l+1)]^{2}} </math>. The tag {{TAG|ML_FF_AFILT2_MB}} sets the parameter <math>a_{\mathrm{FILT}}</math>.
  
 
== References ==
 
== References ==
 
<references/>
 
<references/>
 
<noinclude>
 
<noinclude>
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== Related Tags and Sections ==
 
== Related Tags and Sections ==
 
{{TAG|ML_FF_LMLFF}},{{TAG|ML_FF_LAFILT2_MB}},{{TAG|ML_FF_IAFILT2_MB}}
 
{{TAG|ML_FF_LMLFF}},{{TAG|ML_FF_LAFILT2_MB}},{{TAG|ML_FF_IAFILT2_MB}}
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:VASP6]]
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]

Latest revision as of 15:14, 29 February 2020

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.


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

The angular filtering function[1] for ML_FF_IAFILT2_MB=2 is described as . The tag ML_FF_AFILT2_MB sets the parameter .

References

  1. [ J. P. Boyd, Chebyshev and Fourier Spectral Methods (Dover Publications, New York, 2000).]


Related Tags and Sections

ML_FF_LMLFF,ML_FF_LAFILT2_MB,ML_FF_IAFILT2_MB

Examples that use this tag