ML EATOM
This file contains the total atomic energy (potential energy plus kinetic energy) for each MD step. It also contains the atomic positions and lattice parameters at every MD step. The file is only written if ML_FF_LEATOM_MB=.TRUE..
Requests for technical support from the VASP group should be posted in the VASP-forum.
This file contains the total atomic energy (potential energy plus kinetic energy) for each MD step. It also contains the atomic positions and lattice parameters at every MD step. The file is only written if ML_FF_LEATOM_MB=.TRUE..