Requests for technical support from the VASP group should be posted in the VASP-forum.
Difference between revisions of "ML FF LHEAT MB"
From Vaspwiki
Jump to navigationJump to search| Line 11: | Line 11: | ||
---- | ---- | ||
| − | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields | + | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]] |
Revision as of 10:57, 30 January 2020
ML_FF_LHEAT_MB = [logical]
Default: ML_FF_LHEAT_MB = .FALSE.
Description: This flag specifies whether the heat flux is calculated or not in the machine learning force field method.
The heat flux is written to the file ML_HEAT.
