The Ba pseudopotential was generated with semicore states
(5s and 5p) in the valence complex. 

When generating the PAOs and KB projectors for a case like this, one
should take into account that:

a) It is necessary to use a PAO.Basis block and to list
   explicitly all the orbitals used.

b) There will be 2 projectors for each of the s and p channels.

In this directory we have two input files. The first one, Ba_default.fdf, 
is a "bare-bones" basis definition file, with all the parameters set
to default values (except the request to use double Z  for the 6s orbitals).

The second one, Ba_optim.fdf, is the product of an optimization
procedure, which finds the "best" values of a number of parameters,
including the global charge state to be used (0.7 here).
