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Difference between revisions of "ML FF AFILT2 MB"

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(Created page with "{{TAGDEF|ML_FF_AFILT2_MB|[real]|0.002}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_AFILT2_MB|Examples|Examples that use this tag}} ---- [[Category:INCAR]...")
 
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{{TAGDEF|ML_FF_AFILT2_MB|[real]|0.002}}
 
{{TAGDEF|ML_FF_AFILT2_MB|[real]|0.002}}
  
Description:
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Description: This tag sets the filtering parameter for the angular filtering for {{TAG|ML_FF_IAFILT2}} in the machine learning force field method.
 
----
 
----
 +
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 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>.
  
 
== Related Tags and Sections ==
 
== Related Tags and Sections ==
 +
{{TAG|ML_FF_LMLFF}},{{TAG|ML_FF_LAFILT2_MB}},{{TAG|ML_FF_IAFILT2_MB}}
  
 
{{sc|ML_FF_AFILT2_MB|Examples|Examples that use this tag}}
 
{{sc|ML_FF_AFILT2_MB|Examples|Examples that use this tag}}
 
----
 
----
  
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]
+
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:VASP6]]

Revision as of 10:41, 27 May 2019

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 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 for ML_FF_IAFILT2_MB=2 is described as . This tag sets the parameter .

Related Tags and Sections

ML_FF_LMLFF,ML_FF_LAFILT2_MB,ML_FF_IAFILT2_MB

Examples that use this tag