Changed defaults in the 2007 release

  • Distance effects in the SCF basis are now enabled by default. The default is Tails%bas=1.0e-6.
    With response (TDDFT) calculations the criterion is always set to zero.
  • By default now a nonorthogonal fit is used. Use the keyword ORTHOGONALFIT to return to the
    old more expensive method, which can be more stable in case of extreme dependencies.
  • You can specify a cutoff criterion for the fit functions as well, see Tails%Fit, which is by default set to 1e-15.

 

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