My job makes geometry optimization, then reads geometry from
the CHK file and computed binding energy via
counterpoise.
Sporadically, I get the following
problem:
Counterpoise: doing DCBS
calculation for fragment 1 NewBq=T
NInts<0 in
InToWP.
I have been never getting this
while not reading CHK file.
What does
the error mean, please?