Hello, I am running a fairly large EOM-CC job and it has crashed with an error. I am guessing that I don’t have enough scratch space to finish the calculation (correctly if I am wrong). Is there a way to estimate how much space is needed to complete this job? Thanks The last few lines of the output with the error 34 -1322.39795345 4.46e-12 1.23e-09 35 -1322.39795…

Hello, I have successfully set up a calculation with user-defined effective fragments, as previously discussed. The system I am describing involves a small dye molecule (-2 1) in the ground state configuration, obtained using molecular dynamics simulation in an explicit organic solvent. I created the QChem input with the dye molecule as the QM region, a 5A solvent (ionic liquid) …