ML LMAX2: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
Line 10: Line 10:
----
----


[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:VASP6]]
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]

Revision as of 10:57, 30 January 2020

ML_FF_LMAX2_MB = [integer]
Default: ML_FF_LMAX2_MB = 6 

Description: This tag specifies the maximum angular momentum quantum number of spherical harmonics used to expand atomic distributions within the machine learning force field method.


Related Tags and Sections

ML_FF_LMLFF, ML_FF_MSPL1_MB, ML_FF_MSPL2_MB, ML_FF_NR1_MB, ML_FF_NR2_MB, ML_FF_MRB1_MB, ML_FF_MRB2_MB

Examples that use this tag