Nanosurf Lab

   iwrtcdcoefs = 0 or 1          # write coefficients of wavefunction C_i,mu
   iwrtcharges = 0 or 1       
   iwrtdensity = 0  or 1         # write out density matrix to standard output 
   iwrteigen = 0  or 1           # write out eigenvalues
   iwrtefermi = 0  or 1          # write out occupation numbers of states
   iwrtfpieces = 0  or 1         # write out pieces of force 
   iwrthampiece = 0  or 1        # write out pieces of hamiltonian
   iwrtcomponents = 0  or 1
   iwrtneigh = 0 or 1
   iwrtneigh_com = 0 or 1
   iwrtxyz = 0  or 1           # write out xyz file
   iwrtdos = 0  or 1           # write out DOS, dos.optional needed
   iwrthop = 0  or 1
   iwrtatom = 0  or 1
   iwrtpop = 0  or 1
   iwrtHS = 0  or 1
   iwrtvel = 0  or 1
   iwrtden = 0  or 1
   iwrtewf = 0  or 1           # plot wavefunction in 2D .ppm or 3D .xsf format
   iwrtxsf = 0  or 1           # plot density and potential on grid .xsf 
   iwrtpsit = 0  or 1
   iwrtqt = 0  or 1
   iwrtexcit = 0  or 1         # write out optical trasition matrix elements by Fermi Golden rule
   iwrtkvaziband = 0  or 1     # project bandstructure of finite system using atomic orbitals, EXPERIMENTAL, NOT FINISHED !!!