Atanuka Paul

2 Questions 2 Answers 0 Followers

Questions related from Atanuka Paul

What should be the commandline for APFD?

I am using APFD to run a job and I am using this command line. #opt freq APFD/basisset nosymm geom=connectivity scf=(xqc,maxcycle=650) But it is showing syntax error in input file. How to change it?

04 April 2018 7,869 0 View

In gaussian during transition state optimization the error message comes as SchOr2 failed for MMProj. How to resolve it?

By scanning I got a peak that indicated the presence of a transition state. Bit when I am doing transition state optimization from that structure it gets deviated. Using the bond restriction in...

03 March 2018 770 2 View