cphf_solve2:SCF residual greater than 1d-2

19 views
Skip to first unread message

Qi Sun

unread,
Mar 12, 2024, 5:51:12 PMMar 12
to NWChem Forum
Dear all,

I am using GIAO method to calculated rotatory strength. I got an error:cphf_solve2:SCF residual greater than 1d-2. Input and output files are attached. Thank you!

Best,

QI
output.out
input.nw
Reply all
Reply to author
Forward
0 new messages