
Firsrt and second attempt: standard minimizations without pressure.
 The second one starts from the first optimized basis set.
 Customary changes in the displacements in order to try to go far away from
 some limits (for instance, the charge of Ba was quite close
 to the maximum allowed value).

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Third attempt: Introduce a pressure of 0.03 GPa

Starting from the optimized basis set number 2, 
we perform an optimization of the enthalpy with a 
pressure of 0.03 GPa. 

The goal is to reduce the range of the atomic orbitals
(some of them where too long).

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Fourth attempt: Second optimization with a pressure of 0.03 GPa

The second zeta of the 6s orbital from the previous minimization
had a very strange kink at the tail (more pronounced that in other
cases).

I thought this was due to a very short range.
I increased the minimum cutoff for the second-zeta orbital of
Ba  6s up to fourth.

This minimization started from the optimized basis set of number 3,
with the exception that the previous cutoff orbital of the 6s orbital
was modified to accomply with the new requirements.

Customary changes in the displacements of the initial simplex 
for running the code within the imposed constraints. 

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Fifth attempt: Third, and final, optimization with a pressure of 0.03 GPa
starting from the optimized basis of the previous attempts
