<div dir="ltr">Hello everyone, I am looking for a way to do a QM/MM calculation without actually doing any SCF steps. I'd like to feed in an healthy looking density for the QM region at the beginning and freeze it for the rest of the simulation. To this end I set up MAX_SCF 0 thinking it would carry on using the restart file (see below and full input file attached) but that returns a segmentation fault. I looked at various constraints on the density as well but didn't find what I was looking for... Does anyone have a better idea? Many thanks Valerie &FORCE_EVAL METHOD QMMM &DFT BASIS_SET_FILE_NAME ./GTH_BASIS_SETS POTENTIAL_FILE_NAME ./POTENTIAL WFN_RESTART_FILE_NAME qmmm_test-RESTART.wfn &MGRID COMMENSURATE CUTOFF 300 &END MGRID &QS &END QS &SCF SCF_GUESS RESTART MAX_SCF 0 &END SCF &XC &XC_FUNCTIONAL pade &END XC_FUNCTIONAL &END XC &END DFT </div>