Hi every one when i ues gaussian to calculate energy to c60 by ues dft b3lyp and basis set LANL2DZ his ntegral accuracy reduced to 1.0D-05 un?

Shaimaa كلية التربية @Shaimaa_klyt_altrbyt

03 November 2024 0 5K Report

ntegral accuracy reduced to 1.0D-05 until final iterations.

Problem detected with inexpensive integrals.

Switching to full accuracy and repeating last cycle.

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