[molpro-user] NEVPT2 - arg of npos too large

Peter Burger burger at chemie.uni-hamburg.de
Thu May 26 09:14:22 CEST 2016


Dear experts,

I have another question.

NEVPT2 calculations for a single state of a CAS [13,14] active space 
stop with the message

  "arg of npos too large"

What does this mean - what should/can I do?

I am using the 2015.1 binary.

Many thx in advance

Peter



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