Open Log  '   LaN.log '       # Set output files
Open Error '   LaN.error  '
Open output '   LaN.out '

Psi_Memory 800
Proj_Memory 50
Ylm_Memory 50
Bloch_Memory 50


Max_AtomTypes 2
MAx_Specific_Atoms 2

Max_TotalPsi 30
MinPsi 25


SuperCell             # Define the crystal
Scale 10.0
  A ( 0.50000000, 0.5000000,  0.000000)
  B ( 0.000000,  0.5000000,  0.5000000)
  C ( 0.5000000,  0.000000,  0.5000000)


  Gauss_Width  0.001
  BZ_Method   GAUSS

  Include  ' /gpfs0/physp2/harrisdt/paw/LaN/SolidData/SharedFiles/888                         '
  Include ' /gpfs0/physp2/harrisdt/paw/LaN/SolidData/SharedFiles/fcc.sym                      '

End


PlaneWave_CutOffs
 Gcut_LOW 5
 Gcut_HIGH 10
End


Include ' /gpfs0/physp2/harrisdt/paw/LaN/SolidData/SharedFiles/LaN-LDA-potentialfile                      '

Atom_List FRAC_POSITION
  La1  La ( 0.500000,0.5,0.5)
  N1   N  ( 0.000000,0.0,0.0)
End

FORCES_ALWAYS_CALC_H
Mix_Veff
V_NewMix 0.4 0.2
Dij_NewMix 0.4 0.2
Mix_SecondValue 0.2
Store_Lowest_Energy ' LaN   '
Set_Name Force_Name '  LaN.forces'
Set_Name Position_Archive_Name '  LaN.positions'


Initialize_System


Relax charge 50 1.E-7



Quit