meghnashankar

Thank you so much for the quick response. That is quite amazing. I changed the order of the arguments and it now works. I cannot believe it because I have...

I just started using crest a couple days ago, but I've got a Core i7-8565U on my PC with 16 GB RAM and it takes me 25 minutes to run...

Interesting. Out of curiosity, do you have a ballpark for how long it would take to run 80 atoms on the same machine?