SYSTEM = Methanol + Cu(111) 550 K, SRP032, PAW 4x3-skewed 4L
 
   ISTART   = 0          ! Initialize psi from scratch 
   ICHARG   = 2          ! Take superposition of atomic charge densities
   LWAVE    =.FALSE.     ! No writing
   LCHARG   =.FALSE.     ! No writing
   ISPIN    = 1          ! Not Spin Polarized
   ISYM     = 0          ! Switch off Symmetry
   ALGO     = F          ! DAV + RMMS
   PREC     = Accurate   ! OptAlgo precision
   SMASS    =-3          ! Microcanonical ensamble 
   ISMEAR   = 1          ! MP smearing
   SIGMA    = 0.2        ! Smearing width
   ENCUT    = 400        ! Energy cutoff

   IBRION   = 0          ! AIMD
   POTIM    = 0.4        ! timestep in fs
   EDIFF    = 3.0e-5     ! SCF breaking value [ eV ]
   NELM     = 100        ! Max N of SCF cycles
   NELMIN   = 4
   NELMDL   =-12
   _nsw_

   GGA      = RP         ! exchange-correlation
   LUSE_VDW =.TRUE.      !
   AGGAC    = 0.0000     !

   NPAR     = 2          ! Parallelization options
   KPAR     = 1          ! 
   NSIM     = 4          !
   LPLANE   =.TRUE.      !