FODFT run failure

Questions
#1

Hello, I have been attempting to use the FODFT method, but the calculations consistently fail. I have tried various approaches, but the output results are always like this. How can I resolve this issue?

Q-Chem fatal error occurred in module libalmo/libalmo/scfmi/subrot_rss_ao.C, line 725:
interfragment lin dep in subrot_rss_ao; run as subrot_gen
Please submit a crash report at Q-Chem Crash Reporter

Here is the input

image
image969×1780 55.7 KB

#2

You should be able to get rid of this error by adding “scfmi_mode = 1” to the rems.

#3

Thank you ! It works.