MC-srDFT mentioned in MCSCF run
Hi, I am learning to run CASSCF jobs with Dalton and by going through the outputs, I see MC-srDFT mentioned in my (hopefully) pure MCSCF run.
My input.dal contains:
**DALTON INPUT
.RUN WAVE FUNCTIONS
**WAVE FUNCTIONS
.HF
.MP2
.MCSCF
*SCF INPUT
.DOUBLY OCCUPIED
43
.FROZEN CORE ORBITALS
13
.SINGLY OCCUPIED
1
*CONFIGURATION INPUT
.SYMMETRY
1
.SPIN MULTIPLICITY
2
.INACTIVE
42
.CAS SPACE
3
.ELECTRONS
3
**END OF DALTON INPUT
and in the output after the line
--- Final results from SIRIUS ---
There is also this one:
@ This was an MC-srDFT calculation.
Is this just an oversight on the output printing, or am I missing something?
Edited by Adam Matěj