For coupling of short-range (sr-)DFT with long-range (lr-)ab-initio
methods, one first has to specify the coupling parameter
in the sr interelectronic interaction
;
this can be done by setting a variable (e.g. `mu=0.5`).
As a next step, long-range ERIs have to be calculated by calling the
integral program (e.g. `int;erf,mu;`).

Then sr-DFT/lr-HF calculations can be performed by calling the RKS program
with the additional subcommand `rangehybrid`. Available short-range
functionals are `exerf` and `ecerf` for sr-LDA, and `exerfpbe`
and `ecerfpbe` for sr-PBE; as usual, the functionals have to be specified
after the `rks` command (e.g. `rks,exerf,ecerf;`).
The underlying short-range LDA correlation functional is that
of S. Paziani, S. Moroni, P. Gori-Giorgi, G.B. Bachelet, Phys. Rev. B 73, 155111 (2006).

Finally, sr-DFT/lr-post-HF calculations can be done by adding,
within a call of the chosen post-HF program, two subcommands:
`srxcdft` followed by the desired short-range functionals
(e.g. `srxcdft,exerf,ecerf;`), and `dftden`
followed by the record number from which the
density for the sr functionals is taken.
Implementations are available for `ci`, `mp2`, `ccsd`, `ccsd(t)`,
and the corresponding local MP2 and CC methods w/wo density-fitting.

manual quickstart instguide update basis

molpro@molpro.net 2017-12-14