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 $rpacor n

The maximum amount of core memory to be allocated for the storage
of trial vectors is restricted to n MB. If the memory needed
exceeds the threshold given by $rpacor
, a multiple pass algorithm
will be used. However, especially for large cases, this will
increase computation time significantly. The default is 200MB.
 $spectrum unit

The calculated excitation energies and corresponding oscillator
strengths are appended to a file named 'spectrum'. Possible values
of unit are eV, nm and cm^{1} or rcm. If no unit is
specified, excitation energies are given in a.u.
 $cdspectrum unit

The calculated excitation energies and corresponding rotatory
strengths are appended to a file named
'cdspectrum'. unit can have the same values as in
$spectrum
.
 $start vector generation e

Flag for generation of UHF start MOs in a triplet instability
calculation. The option will become effective only if there are
triplet instabilities in the totally symmetric IRREP. The
optional real number e specifies the approximate second order
energy change in a.u. (default: 0.1).
 $velocity gauge

Enables calculation of dipole polarizability/rotatory
dispersion in the velocity gauge. Active only for pure DFT (no
HF exchange).


Enable calculation of oscillator and rotatory strength sum rules at
frequencies specified by list of frequencies in unit
unit (see $scfinstab dynpol
). Note that the sums will
be taken only over the states specified in $soes.
 $rpaconv n

the vectors are considered as converged if the Euclidean
residual norm is less than 10^{n}. Larger values of n lead
to higher accuracy. The default is a residual norm less than
10^{5}.
 $escfiterlimit n

Sets the upper limit for the number of Davidson Iterations to
n. Default is n = 25.
Next: Keywords for Module Egrad
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