In the final example of a DALTON.INP
input file, we assume that
the program has been compiled with MPI options, and request the SCF
calculation of the second hyperpolarizability ( ) using
the cubic response solver of the RESPONSE \
program. No two-electron
integrals will be stored on disc in any part of the calculation. The
number of nodes used is determined when submitting the
job, and how
this is done depends on the computer on which the job is run.
All treatment of symmetry, including the Hartree-Fock occupation is automatically taken care of by the program, and we thus only need to specify that we are to do a Hartree-Fock calculation.