&INFO
ammonia molecule.
wavefunction re-optimization with norm-conserving pp
and part one of the visualization output.
&END

&CPMD
  OPTIMIZE WAVEFUNCTION
  RESTART WAVEFUNCTION COORDINATES
  ODIIS NO_RESET=50
   5
  CONVERGENCE ORBITALS
   1.0d-7  
  MAXSTEP
   800 

  RHOOUT BANDS
   4
   1 2 3 4
  ELECTROSTATIC POTENTIAL
  ELF PARAMETER
    0.0  0.0
  
  STRUCTURE BONDS ANGLES
&END

&DFT
  FUNCTIONAL BLYP
  GC-CUTOFF
  1.0E-06
&END

&SYSTEM
  SYMMETRY
   0
  POISSON SOLVER TUCKERMAN

  CELL
   30.0   1.0   1.0  0.0  0.0  0.0  

  CUTOFF
   70.0
&END

&ATOMS
*N_MT_BLYP.psp KLEINMAN-BYLANDER
  LMAX=P
   1
 12.4861 12.5000 13.2081  

*H_MT_BLYP.psp 
  LMAX=S
   3
 14.2893 12.5000 12.5121  
 11.6058 14.0535 12.4716  
 11.6058 10.9465 12.4716  
&END