In order to use local
and (15.8) with
FDE, the flag
string must be add to the options of the script. Here string
denotes the local/semilocal approximation to hybrid or orbital-dependent
exchange-correlation potentials in
vemb(r). All LDA/GGA
TURBOMOLE can be considered as approximations.
For example, the command
FDE -p 3 -f b-lypcan be used to approximate
b3-lyphybrid non-additive potentials, while the command
FDE -p 3 -f pbeapproximates the
pbe0hybrid non-additive potentials. Other combinations of functionals are not recommended (meta-GGA are not supported).
Finally, also calculations with the Local Hartree-Fock (LHF) potential can be performed. In this case the command
FDE -p 3 -f becke-exchangecan be used to approximate the LHF non-additive potential.