Shaimaa كلية التربية

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Questions related from Shaimaa كلية التربية

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?

ntegral accuracy reduced to 1.0D-05 until final iterations. Problem detected with inexpensive integrals. Switching to full accuracy and repeating last cycle.

03 November 2024 5,493 0 View

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

Show me this phrase ( Problem detected with inexpensive integrals. Switching to full accuracy and repeating last cycle. Restarting incremental Fock formation. Restarting incremental Fock...

18 October 2024 2,809 1 View

Hi every one i want calculate binding energy using gaussian for dimer fulleren what basis set The occasion?

basis set

29 September 2024 6,496 2 View