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

Difference between revisions of "ML FF IBROAD2 MB"

From Vaspwiki
Jump to navigationJump to search
(Created page with "{{TAGDEF|ML_FF_IBROAD2_MB|[integer]|2}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_IBROAD2_MB|Examples|Examples that use this tag}} ---- Category:INCAR...")
 
Line 1: Line 1:
 
{{TAGDEF|ML_FF_IBROAD2_MB|[integer]|2}}
 
{{TAGDEF|ML_FF_IBROAD2_MB|[integer]|2}}
  
Description:
+
Description: This tag specifies the width of the Gaussian functions used for broadening the atomic distributions of the angular descriptor within the machine learning force field method.
 
----
 
----
 +
 +
This tag is only set if {{TAG|ML_FF_IBROAD2_MB}} is not equal 1.
  
 
== Related Tags and Sections ==
 
== Related Tags and Sections ==
 +
{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_IBROAD1_MB}}, {{TAG|ML_FF_IBROAD1_MB}}, {{TAG|ML_FF_IBROAD2_MB}}
  
 
{{sc|ML_FF_IBROAD2_MB|Examples|Examples that use this tag}}
 
{{sc|ML_FF_IBROAD2_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 07:26, 21 May 2019

ML_FF_IBROAD2_MB = [integer]
Default: ML_FF_IBROAD2_MB = 2 

Description: This tag specifies the width of the Gaussian functions used for broadening the atomic distributions of the angular descriptor within the machine learning force field method.


This tag is only set if ML_FF_IBROAD2_MB is not equal 1.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_IBROAD1_MB, ML_FF_IBROAD1_MB, ML_FF_IBROAD2_MB

Examples that use this tag