$PCMGRD group (optional)
This group controls the PCM gradient computations. It
is of a technical nature, and is seldom given.
IPCDER = selects different methods for PCM gradients
1 use Ux(q) approximation (C-PCM and IEF-PCM),
or use charge-derivative method (D-PCM).
This is the default for D-PCM.
2 Variable-Tessera-Number Approximation.
Implemented only for C-PCM and IEF-PCM, and
the default for GEPOL-AS tesselation.
3 The same as 2, but for FIXPVE tessellation.
The program will pick the correct default for IPCDER!
note: If ICAV = 1 or IDISP = 1 in $PCM, the derivatives
of the cavitation energy or dispersion-repulsion,
respectively, will automatically be calculated.
You must be using the following input:
$PCM ICAV=1 IDISP=1 $END
$DISREP ICLAV=1 $END
IFAST = Controls the PCM calculations for RUNTYP=OPTIMIZE.
0 update PCM charges at each SCF cycle at every
geometry (default)
1 update PCM charges at each SCF cycle for the
initial geometry.
For the subsequent geometries, calculate PCM
charges at the first SCF cycle and use the PCM
charges for the following SCF cycles; after
the density change falls below DENTOL, update
the PCM charges one time (to save CPU time).
34 lines are written.
Edited by Shiro KOSEKI on Tue May 17 15:19:38 2022.