In many applications of -electron
systems, we found that it is usually preferable to freeze the -electron
density at the atomic value in order to achieve well converged
SCF potentials. This is the default in FEFF8.4. If one still wants
to attempt to calculate the -DOS self-consistently,
as in FEFF8.00 and 8.10, the UNFREEZEF card should be used.
* To include f-electrons in SCF calculations use