Polarizable continuum model (PCM) directives.

General information on the PCM can be found in [Tomasi2005], whereas details concerning the Dirac implementation are found in [DiRemigio2015].


Calculations with the polarizable continuum model cannot exploit molecular point group symmetry and/or 2-component Hamiltonians.



Performs a PCM-SCF calculation with the PCM-SCC approximation. The small-small block of the electrostatic potential is neglected, in the spirit of the SCC approximation described in [Visscher1997a]. It is not employed by default.


Currently not working for response calculations.


Print level in the PCM subroutines. Default:




Performs PCM-SCF separating the nuclear and electronic electrostatic potential and apparent surface charge. Results are unaffected. For debug purpose only


Remove spin-orbit dependent part from PCM potential. For debug purpose only


Skips the calculation of the one-index transformed apparent surface charge in the linear response function. For debug purpose only