WARNING: your system is open-shell and RHF/RKS was chosen
===> : WILL SWITCH to UHF/UKS
WARNING: Post HF methods need fully converged wavefunctions
===> : Setting SCFConvForced true
You can overwrite this default with %scf ConvForced false
WARNING: Restarting MDCI calulations with QROs will lead to
significant changes in the QROs!
===> : For restart on a converged wavefunction better use NoIter or MaxIter=0
WARNING: PNO calculations with unrestricted orbitals require UNOs
===> : Switching on UNOs
WARNING: Unrestricted DLPNO-CCSD(T0/T) with FullLMP2-Guess requested.
This is not yet implemented.
When comparing energies between closed and open shell calculations:
===> : Be aware to set UseFullLMP2Guess to false for the corresponding closed shell calculations.
Note that UseFullLMP2Guess is done by default only for TightPNO closed shell calculations.
WARNING: MDCI localization with Augmented Hessian Foster-Boys
===> : Switching off randomization!