Requests for technical support from the VASP group should be posted in the VASP-forum.

Difference between revisions of "ML FF AFILT2 MB"

From Vaspwiki
Jump to navigationJump to search
Line 9: Line 9:
 
== References ==
 
== References ==
 
<references/>
 
<references/>
 
 
<noinclude>
 
<noinclude>
 
== Related Tags and Sections ==
 
== Related Tags and Sections ==

Revision as of 10:50, 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_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 . This tag 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