Hi every one i using gaussian to calculate energy for dimer fulleren ?

Shaimaa كلية التربية @Shaimaa_klyt_altrbyt

18 October 2024 1 3K Report

Show me this phrase ( Problem detected with inexpensive integrals.

Switching to full accuracy and repeating last cycle.

Restarting incremental Fock formation.

Restarting incremental Fock formation) and i ues dft and basis set lan2dz

Jürgen Weippert

There is an older discussion in which somebody had the same error:

https://www.researchgate.net/post/Does-any-one-know-how-to-troubleshoot-an-optimization-terminated-with-error-Inaccurate-quadrature-in-CalDSu

Does one of the answers do the job for you?

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