ISTART = 0 ISIF = 2 IBRION = 2 NELM = 200 ISMEAR = 0 SIGMA = 0.1 ISYM = 0 ISPIN = 1 NWRITE = 0 ENCUT = 400 LREAL= Auto PREC = accurate WAVECAR = .TRUE. LORBIT = 11 IVDW=12 VDW_S8=0.7875 VDW_A1=0.4289 VDW_A2=4.4407 LRHOION = .TRUE. LSOL = .TRUE. EB_K = 78.4 LAMBDA_D_K = 3.0 #debye length in angstrom NELECT=474.9138307 NSW=0