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 :)

atom 1 (C) is not found

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2 weeks 3 days ago #1488 by wang
atom 1 (C) is not found was created by wang
Hello, I encountered a problem while calculating SCS-ADC (2). May I know the reason? 
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  • kallay
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  • Mihaly Kallay
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2 weeks 3 days ago #1489 by kallay
Replied by kallay on topic atom 1 (C) is not found
Please set basis=cc-pvdz in the input file.

Best regards,
Mihaly Kallay

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