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 :)

CC convergence

  • yanmeiyu
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3 days 9 hours ago #1495 by yanmeiyu
CC convergence was created by yanmeiyu
Dear MRCC expert,

Could we define the DIIS or damping parameter to improve the LRCC convergence? Thank you very much!

Best regards,

Yanmei

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