Dear all,
I am doing a optimization which puts styrene above graphene. But I found it costs much time to calculate because of the big size of the graphene. My input file and output file are attached here. Actually, I already fix the positions of the carbon atoms relatively far away from styrene to save time. Did anybody have such problems before? How can I find a faster way to optimize this structure? Thanks in advance!
Best regards,
Xueping Jiang
big size optimization
Moderator: bguster
