I am trying to optimize a 6,6-carbon nanotube containg 168 atoms with both ends terminated with hydrogen atoms. when using the ired command in the define section, several sentences are soming on the screen like:
decoupling with globtry 1.54......
decoupling with globtry 1.46......
..............etc.
and when I am running the optimization, the program is being stopped at the statpt step. I cant understand the reason. Please help me.
Thank You :-)