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[ORCA 51-62\56_ground.out.gz ERROR] Encountered error when parsing.
[ORCA 51-62\56_ground.out.gz ERROR] Last line read: 34 H : 0.000091913 -0.001034066 0.000111Starting D4
I was trying to use cclib to read energies of my gz files, but there are some errors in a few files, and I have no idea.
Also have errors here, but I still get data. I am not sure if it is fine.
The text was updated successfully, but these errors were encountered:
shivupa
changed the title
Encountered error when parsing. Last line read: 34 H : 0.000091913 -0.001034066 0.000111Starting D4
ORCA parsing error
Dec 8, 2023
Hi Are you able to provide the 30_ground.out.gz that causes the issue?
The second error is just warning that one of the excitation energies is negative which shouldn't be the case for a ground state, but it seems like this is an excited state so the excited state -> ground state can be negative. It should be safe to ignore, but I am saying that based on the filenames. Trust your chemical intuition/knowledge of the problem to decide if that is good advice in this case.
[ORCA 51-62\56_ground.out.gz ERROR] Encountered error when parsing.
[ORCA 51-62\56_ground.out.gz ERROR] Last line read: 34 H : 0.000091913 -0.001034066 0.000111Starting D4
I was trying to use cclib to read energies of my gz files, but there are some errors in a few files, and I have no idea.
Also have errors here, but I still get data. I am not sure if it is fine.
The text was updated successfully, but these errors were encountered: