ELEC_DUMP_FILE (.param)

Keyword type

String

Description

This keyword determines the name of the file into which wavefunction and density data are written, periodically during electronic minimization. This file can be used as a backup and is restored with the ELEC_RESTORE_FILE parameter.

If this parameter is set to NULL, no backup wavefunction or density data will be written.

Default

seedname.wvfn

Example

ELEC_DUMP_FILE : test.wvfn

See Also:

ELEC_RESTORE_FILE
CASTEP keyword glossary
CASTEP parameters keywords