This keyword controls the tolerance for accepting convergence of the total energy in an electronic minimization during a molecular dynamics run.
The difference between maximum and minimum energies over MD_ELEC_CONVERGENCE_WIN iterations must be less than this value.
By default this has the same value as ELEC_ENERGY_TOL.
MD_ELEC_ENERGY_TOL : 0.00007 eV
CASTEP keyword glossary
CASTEP parameters keywords