 |
|
|
$CCRES group (restart data for DC-CC runs)
Restart data (consisting of subsystem correlation
energies) for Divide and Conquer correlation calculations.
The appropriately named input group is required if ISTCOR
is selected in $DCCORR. The format of these two groups is
slightly different for DC-MP2 or DC-CC, but the data should
be given in exactly the same format that it was written to
file RESTART, adding only a $END line.
Examples:
$MP2RES
1 -0.133110332082E+00 0.000E+00 -0.133110332082E+00
2 -0.130740147906E+00 0.000E+00 -0.130740147906E+00
3 -0.130483660838E+00 0.000E+00 -0.130483660838E+00
$END
$CCRES
2
1 -0.135031928183E+00 -0.132440119981E+00
2 -0.132589691149E+00 -0.131009546477E+00
3 -0.132673391144E+00 -0.130832334600E+00
4 -0.133163592168E+00 -0.131377855474E+00
$END
The integer in the first line indicates the CC method.
==========================================================
==========================================================
generated on 7/7/2017