Shashi Kumar

2 Questions 21 Answers 0 Followers

Questions related from Shashi Kumar

Maximum number of micro iterations restarts exceeded?

Dears I am doing QM/MM calculations and trying to optimize a Gaussian input file of about 35000 atoms. QM region contains 60 atoms. But after a long time, I got an error that Max no. of...

08 May 2017 930 7 View

Gaussian log file is not printing anything as calculations are running in the background?

Dears I am doing QM/MM calculations and trying to optimize a Gaussian input file of about 35000 atoms. But output.log is not printing anything except coordinates even Gaussian calculations are...

02 May 2017 6,684 5 View