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- NAME
PRINT_DIPOLE - Print out dipole.
- SYNOPSIS
PRINT_DIPOLE fdipole OPEN filename
- DESCRIPTION
Print out the components of the total instantaneous dipole
(in debye Å ) of the basic cell each fdipole fs. From the
fluctuations of
the dielectric constant can be easily
calculated [10]. Dipole calculation can be
done on the fly.
- EXAMPLES
PRINT_DIPOLE 20.0 OPEN dipole.out
- WARNINGS
Diagnostic - Unsupported