Dear Developer,
I would like to calculate SOC,quadratic response properties and phosphorescence on DFT level with m06-l functional but I did not find any keyword for this functional (or for any other Minnesota functional). Is it possible to build them with "Combine" keyword or use XCFun library?
The input is the following:
**DALTON INPUT
.DIRECT
.PARALLEL
.RUN RESPONSE
**INTEGRALS
.SPIN-ORBIT
**WAVE FUNCTIONS
.DFT
M06-L
*SCF INPUT
.MAX DIIS ITERATIONS
300
**RESPONSE
*QUADRATIC
.ECPHOS
.APROP
XDIPLEN
.APROP
YDIPLEN
.APROP
ZDIPLEN
.BPROP
X1SPNSCA
.BPROP
Y1SPNSCA
.BPROP
Z1SPNSCA
.ISPABC
0 1 1
.ROOTS
1
**END OF INPUT
Thank you
Best Regards,
Anna
m06-l functional
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