I would like to run a QMERA calculation but it fails at the DMol/DFT energy calculation stage with an error about SCF convergence (Error: SCF iterations not converged in 300 iterations etc)

I believe I can achieve SCF convergence if  I can increase diis size from default 6 to 8 or 9 or if I decrease charge mixing but Materials Studio does not let me do it directly. I need to change the input file manually. i know how to do it at DMol but no idea with QMERA.

I tried to add to the *.csin file where I see DMol settings such as

#DMol parameters (Energy)

set highargs [ .. hamiltonian=PBE basisspec=dnd ...]

scf_charge_mixing=5.0e-002 or scf_diis=9 but it did not work.

How can I change diis or charge mixing amount of DMol energy calculaion with QMERA?

Thank you,

Asli