# Generalities
Title = "Cadmium"
CalculationMode = ae + pp
Verbose = 40
UnitsOutput = 2

# Hamiltonian
WaveEquation = dirac

XCFunctional = lda_x + lda_c_pw

# Specie
NuclearCharge = 48

%Orbitals
"Kr"
  4  |  2  | 10.0
  4  |  3  |  0.0
  5  |  0  |  2.0
  5  |  1  |  0.0
  5  |  2  |  0.0
%

# PseudoPotentials
%PPComponents
  5  |  0  | 1.4 | ham
  5  |  1  | 1.6 | ham
  5  |  2  | 2.4 | ham
  4  |  3  | 2.4 | ham
%

PPCalculationTolerance = 1e-6

# SCF
ConvAbsDens = 1.0e-5

# Wave-equations solver
EigenSolverTolerance = 1e-8
ODEIntTolerance = 1e-12
ODEMaxSteps = 2000000
