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Symmetry adaptation error

  • forresty
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4 months 1 week ago #1452 by forresty
Symmetry adaptation error was created by forresty
I am trying to run optimization of simple Be-HF system with attached input. At the second step of optimization I get the following error:

 Fatal error at symmetry adaptation!

 Fatal error in exec integ.
 Program will stop.

Is this due to the system being linear? If so, is there other way around it beside using z-mat and dummy atom?

Thank you in advance for any suggestions. 
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