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character(len=6) :: md_extrap

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