Core description

Describes the frozen core shells as linear combinations of the core expansion functions. This section has the form

COREDESCRIPTION
  coefficients for the first frozen s-shell
  for the second s-shell
  ...
  for the n-th shell
  coefficients for the first frozen p-shell
  for the second p-shell
  ...
  for the d-shells
  for the f-shells
  pseudopotential parameters
end

For each of the angular momentum quantum numbers l=s, p, d, f all nl frozen shells are described by giving expansion coefficients. There are as many coefficients as there are function sets with the pertaining l-value in the list of expansion functions. There are no separate coefficients for all m-values: all m-values are equivalent in a spherically symmetric model atom. See the Ca example below.

At the end of the (core) description section there is a record with pseudopotential parameters. The pseudopotential option, as an alternative to the frozen core approximation, is currently not supported, all values in this record must be zero, one for each frozen core shell. Equivalently you can put one zero, followed by a slash (/).