ML AFILT2: Difference between revisions
(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: | 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