UNFREEZEF

    Useful
    

In many applications of $f$-electron systems, we found that it is usually preferable to freeze the $f$-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 $f$-DOS self-consistently, as in FEFF8.00 and 8.10, the UNFREEZEF card should be used.
  * To include f-electrons in SCF calculations use
  UNFREEZEF