Hi everyone,
Does Q-Chem support reading in FCIDUMP as integrals for mean-field or post-HF calculations?
Thanks,
Xing
Hi everyone,
Does Q-Chem support reading in FCIDUMP as integrals for mean-field or post-HF calculations?
Thanks,
Xing
doubtful. FCIDUMP file can be generated by running a MP2 job and setting SAVE_MO_INTEGRALS = 3.