number of atoms
Posted: Sat Jul 05, 2014 9:12 pm
Hi All
I just started learning using Direx and have a naive question. What is the default setting for the max_n_atoms? Usually how much should be increased? DireX recently gave the following message:
Max number of atoms exceeded. Increase max_n_atoms!
Additionally, I did not have this problem for the other run, which has more atoms to deal with.
Thanks again
-Ming
I just started learning using Direx and have a naive question. What is the default setting for the max_n_atoms? Usually how much should be increased? DireX recently gave the following message:
Max number of atoms exceeded. Increase max_n_atoms!
Additionally, I did not have this problem for the other run, which has more atoms to deal with.
Thanks again
-Ming