Hi, The variables you want to modify are DM.MixingWeight and DM.NumberPulay. If you can't make the run to converge, then make use of DM.NumberKick and DM.KickMixingWeight. Increasing the temperature might also help. Please have a careful look at the manual for descriptions and default values of those variables.
Best regards, Salvador. ************************* Salvador Barraza-Lopez 3223 BI University of Illinois +1(217) 244 1964 (Office) https://netfiles.uiuc.edu/barrazal/www/ *************************
