I'm trying to run a PBC calculation of organic compound crystals.

My input is:

#opt freq ub3lyp/6-31g(d) geom=(nodistance.noangle) pop=regular scf=direct

Immediately, I got error massage #2070 ; The processing of the last ended abnormally. All processing has been aborted. The output file ill now open. Please see the end o the output file for additional information.

Is the setting wrong?

Please tell me about how to calculate the entropy of crystals.

Kanji

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