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by silvio
24 Feb 2016, 15:10
Forum: Running Dalton
Topic: NCCDST/NCCFST error
Replies: 0
Views: 10069

NCCDST/NCCFST error

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 anyon...