NCCDST/NCCFST error

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silvio
Posts: 1
Joined: 24 Feb 2016, 15:05
First name(s): Silvio
Last name(s): Osella
Affiliation: KTH
Country: Sweden

NCCDST/NCCFST error

Post by silvio » 24 Feb 2016, 15:10

Dear users,
while running a dalton cc2 calculation i got the following error:

The arrays NCCDST/NCCFST are out of bound.
Please increase MXDIST in eridst.h and recompile.
IDIST, MXDIST = 3600 2500
Calculation stopped.

I already increase the MXDIST from 700 to 2500, but still is not enough.
Can anyone tell me what are these parameters and how to solve this problem?

thanks

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