LR Convergence

Is it possible to increase the number of iteration steps of the LR-CC methods?

ccmaxit, scfmaxit and optmaxit don't do the job.

Alternatively, are there other convergence techniques to try for LR-CC methods?

You should change variable maxit in MRCCCOMMON and recompile the code.
The best practice is to restart the calculations from converged CCS roots, see the description of keyword rest in the manual.
 

Thank you for your swift response.

So I was using the binaries to run MRCC. Switching to the compiled version I run into the error `Invalid number of roots!' using an identical input file.

I'm running on linux (Ubuntu) using ./build.mrcc GNU

I expect this is a compilation error, but I am not sure how to fix it.

Exmaple input and outputs attached. 

You should compile it with the Intel compiler. It is unstable with various versions of the GNU compiler.

It works!

Thank you Prof. Mihaly Kallay