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The extrapolation scheme to use for wavefunction, and charge density
if using density mixing, during molecular dynamics, including damped
MD. The options are:
- -
- None - No extrapolation used.
- -
- First - First order extrapolation.
- -
- Second - Second order extrapolation.
- -
- Mixed - Alternating first and second order extrapolation.
The default value of this parameter is `First'.
Jonathan Yates
2004-04-16