Duraiyarasu Maheshwaran

2 Questions 3 Answers 0 Followers

Questions related from Duraiyarasu Maheshwaran

I need help to find out the problem in 'input' file of orca calculation. can anyone help regarding this?

I am trying to optimize Ni bimetallic complex in ORCA calculation. But it returns with error message. it say error in input, but I can't find out. I expect some suggestion regarding...

22 January 2019 1,765 5 View

ORCA calculation running too long for metal complex! Is there any suggestions to reduce calculation time?

I am doing ORCA calculation for my high spin Iron(III) complexes to calculate ground state geometry and TDDFT. few of them calculated successfully. but one of my complexes having 340 atoms...

10 January 2019 1,860 3 View