If you have problems during the execution of MRCC, please attach the output with an adequate description of your case as well as the followings:
  • the way mrcc was invoked
  • the way build.mrcc was invoked
  • the output of build.mrcc
  • compiler version (for example: ifort -V, gfortran -v)
  • blas/lapack versions
  • as well as gcc and glibc versions

This information really helps us during troubleshooting :)

CC3 oscillator strength

  • kallay
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  • Mihaly Kallay
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7 years 4 months ago #398 by kallay
Replied by kallay on topic CC3 oscillator strength
Dear Nate,
CCn methods, that is, CC3, CC4, ..., cannot be used with ROHF reference. The others are available with ROHF, see JCP 129, 144101 (2008) for explanation.

Best regards,
Mihaly Kallay

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