Wilson Bosco Paul M

2 Questions 3 Answers 0 Followers

Questions related from Wilson Bosco Paul M

How to identify when a gaussian program is about terminate normally?

Dear all, I am trying to optimize a bimetallic complex using # opt=tight b3lyp/lanl2dz scf=qc geom=connectivity. The program is running for around 5 days but the size of the .chk remains same...

06 February 2021 9,062 3 View

I am trying to optimize a Pt(II) complex using B3lyp and lanl2dz basis set. But it says Grad grad grad failure. Could help any one?

GradGradGradGradGrad Berny optimization using GDIIS/GDIIS optimizer Bond angle failed

26 January 2018 5,341 2 View