SYSTEM = Convergence Test #Run parameters ISTART = 0 ICHARG = 2 ISYM = 0 ISPIN = 1 ! Not Spin-Polarized LWAVE =.FALSE. LCHARG =.FALSE. PREC = Accurate ALGO = F ISMEAR =-1 SIGMA = 0.1 IBRION =-1 ENCUT = 350 EDIFF = 1e-07 ! SCF treshold (energy) EDIFFG =-5e-03 ! optg treshold (force) NSW = 0 NELM = 200 #Functional GGA = RP ! Use the modified RP/PB exchange LUSE_VDW =.TRUE. ! Use the vdW correlation AGGAC = 0.0000 ! Don't use the std GGA correlation KPAR = 2 NPAR = 2