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Possible levels of calculation

UFF
universal force field (see Section 5.4).
HF
Hartree-Fock (see Chapter 6).
DFT
switch to choose the exchange-correlational functional, e.g.

ENRGY :: s-vwn/SVP

The functionals available and their abbreviations are listed in Menu 4.4.1 and are described in Section 6.2.

MP2
second order Møller-Plesset Pertubation Theory (see Chapter 8).
RI-DFT and RI-MP2

to use the RI approximation, type ri- before the description of the level. This is possible for all non-hybrid and hybrid functionals (see Section 6.2) and for MP2, e.g.

ENRGY :: ri-s-vwn/SVP

UHF and UKS

the molecule will be calculated in unrestricted formalism, if the first letter of the level ist an `u', e.g.

ENRGY :: uhf/TZVP



TURBOMOLE