ML SION1: Difference between revisions
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]] | ||
Revision as of 11:05, 30 January 2020
ML_FF_SION1_MB = [real]
| Default: ML_FF_SION1_MB | = none | if ML_FF_IBROAD1_MB=1 |
| = 0.5 | otherwise |
Description: This tag specifies the width of the Gaussian functions used for broadening the atomic distributions for the radial descriptor within the machine learning force field method.
This tag is only set if ML_FF_IBROAD1_MB is not equal 1. The unit of ML_FF_SION1_MB is in .
Related Tags and Sections
ML_FF_LMLFF, ML_FF_SION2_MB, ML_FF_IBROAD1_MB, ML_FF_IBROAD2_MB