iharris = 0
      idogs = 1
      ihubbard = 0
      ihorsfield = 0
      imcweda = 1
      iks = 0
      igsn = 0
      iqout = 1
      qstate = 0.0d0
      iquench = -1
      icluster = 0
      iensemble = 0
      ifixcharge = 0
      ifixneigh = 0
      iumbrella = 0
      ibarrier = 0
      ivdw = 0
      iimage = 0
      idynmat = 0
      iharmonic = 0
      iconstraints(1) = 0
      iconstraints(2) = 1
      iconstraints(3) = 1
      iconstraints(4) = 1
      iendtemp = 0
      ineb = 0
      itrans = 0
      basisfile = 'input.bas'
      lvsfile = 'input.lvs'
      kptpreference = 'input.kpts'
      acfile = 'ac.dat'
      xvfile = 'xv.dat'
      nstepi = 1
      nstepf = 100
      dt = 0.5d0
      T_initial = 0.0d0
      T_final = 10.0d0
      max_scf_iterations = 200
      bmix = 0.04d0
      sigmatol = 1.0E-8
      tempfe = 100.0d0
      itdse = 0
      ibias = 0
      rescal = 1.0d0
      xyz2line = 1
      imdet = 0
      nddt = 1000

      iwrtcdcoefs = 0
      iwrtcharges = 0
      iwrtdensity = 0
      iwrteigen = 0
      iwrtefermi = 0
      iwrtfpieces = 0
      iwrthampiece = 0
      iwrtcomponents = 0
      iwrtneigh = 0
      iwrtneigh_com = 0
      iwrtxyz = 0
      iwrtdos = 0
      iwrthop = 0
      iwrtatom = 0
      iwrtpop = 0
      iwrtHS = 0
      iwrtvel = 0
      iwrtden = 0
      iwrtewf = 0
      iwrtxsf = 0
      idensimport = 0
      iwrtpsit = 0
      iwrtqt = 0

      energytol = 0.0001  ! eV
  forcetol  = 0.05    ! eV/A
T_want    = 0.0     ! K
taurelax  = 50.0  

Ecut = 100.0d0 iewform = 2 npbands = 0 ewfewin_min =-30.0d0 ewfewin_max = 10.0d0 ifixg0 = 0 g0 (:) = 0.0d0