NN00000 (Old style Overlap Parameters) Gallium (Ga) -- sp parametrization 1 (One atom type in this file) 16.5 0.5 (RCUT and SCREENL for 1-1 interactions) 4 (Orbitals for atom 1) 69.72 (Atomic Weight of Atom 1) 2.0 1.0 0.0 (formal spd valence occupancy for atom 1) .834520387851E+00 0 1 lambda (equation 7) -.480703078537E+00 0 2 a_s (equation 9) .310370992055E+01 0 3 b_s (equation 9) -.723566189020E+01 0 4 c_s (equation 9) .493814280391E+01 0 5 d_s (equation 9) .991937506342E+00 0 6 a_p (equation 9) -.387226349503E+01 0 7 b_p (equation 9) .782696407082E+01 0 8 c_p (equation 9) -.530868910698E+01 0 9 d_p (equation 9) .200000000000E+02 1 10 a_t2g (equation 9) .000000000000E+00 1 11 b_t2g (equation 9) .000000000000E+00 1 12 c_t2g (equation 9) .000000000000E+00 1 13 d_t2g (equation 9) .200000000000E+02 1 14 a_eg (equation 9) .000000000000E+00 1 15 b_eg (equation 9) .000000000000E+00 1 16 c_eg (equation 9) .000000000000E+00 1 17 d_eg (equation 9) -.185603281746E+03 0 18 e_{ss sigma} (equation 11) (Hamiltonian) .858315424301E+02 0 19 f_{ss sigma} (equation 11) (Hamiltonian) -.129013136624E+02 0 20 fbar_{ss sigma} (equation 11) (Hamiltonian) .114646380736E+01 0 21 g_{ss sigma} (equation 11) (Hamiltonian) -.118051575089E+02 0 22 e_{sp sigma} (equation 11) (Hamiltonian) .438630787555E+01 0 23 f_{sp sigma} (equation 11) (Hamiltonian) -.283606058836E+00 0 24 fbar_{sp sigma} (equation 11) (Hamiltonian) .823762578509E+00 0 25 g_{sp sigma} (equation 11) (Hamiltonian) -.148571497869E+02 0 26 e_{pp sigma} (equation 11) (Hamiltonian) .160028077015E+01 0 27 f_{pp sigma} (equation 11) (Hamiltonian) .389016371473E+00 0 28 fbar_{pp sigma} (equation 11) (Hamiltonian) .965383199035E+00 0 29 g_{pp sigma} (equation 11) (Hamiltonian) -.477611012226E+01 0 30 e_{pp pi} (equation 11) (Hamiltonian) .256182685293E+01 0 31 f_{pp pi} (equation 11) (Hamiltonian) -.836926128936E+00 0 32 fbar_{pp pi} (equation 11) (Hamiltonian) .109455051498E+01 0 33 g_{pp pi} (equation 11) (Hamiltonian) .000000000000E+00 1 34 e_{sd sigma} (equation 11) (Hamiltonian) .000000000000E+00 1 35 f_{sd sigma} (equation 11) (Hamiltonian) .000000000000E+00 1 36 fbar_{sd sigma} (equation 11) (Hamiltonian) .100000000000E+01 1 37 g_{sd sigma} (equation 11) (Hamiltonian) .000000000000E+00 1 38 e_{pd sigma} (equation 11) (Hamiltonian) .000000000000E+00 1 39 f_{pd sigma} (equation 11) (Hamiltonian) .000000000000E+00 1 40 fbar_{pd sigma} (equation 11) (Hamiltonian) .100000000000E+01 1 41 g_{pd sigma} (equation 11) (Hamiltonian) .000000000000E+00 1 42 e_{pd pi} (equation 11) (Hamiltonian) .000000000000E+00 1 43 f_{pd pi} (equation 11) (Hamiltonian) .000000000000E+00 1 44 fbar_{pd pi} (equation 11) (Hamiltonian) .100000000000E+01 1 45 g_{pd pi} (equation 11) (Hamiltonian) .000000000000E+00 1 46 e_{dd sigma} (equation 11) (Hamiltonian) .000000000000E+00 1 47 f_{dd sigma} (equation 11) (Hamiltonian) .000000000000E+00 1 48 fbar_{dd sigma} (equation 11) (Hamiltonian) .100000000000E+01 1 49 g_{dd sigma} (equation 11) (Hamiltonian) .000000000000E+00 1 50 e_{dd pi} (equation 11) (Hamiltonian) .000000000000E+00 1 51 f_{dd pi} (equation 11) (Hamiltonian) .000000000000E+00 1 52 fbar_{dd pi} (equation 11) (Hamiltonian) .100000000000E+01 1 53 g_{dd pi} (equation 11) (Hamiltonian) .000000000000E+00 1 54 e_{dd delta} (equation 11) (Hamiltonian) .000000000000E+00 1 55 f_{dd delta} (equation 11) (Hamiltonian) .000000000000E+00 1 56 fbar_{dd delta} (equation 11) (Hamiltonian) .100000000000E+01 1 57 g_{dd delta} (equation 11) (Hamiltonian) .417531883829E+01 0 58 e_{ss sigma} (equation 11) (Overlap) .675520655410E+00 0 59 f_{ss sigma} (equation 11) (Overlap) -.852937275071E-01 0 60 fbar_{ss sigma} (equation 11) (Overlap) .865038513767E+00 0 61 g_{ss sigma} (equation 11) (Overlap) -.115466573393E+02 0 62 e_{sp sigma} (equation 11) (Overlap) .199180947016E+00 0 63 f_{sp sigma} (equation 11) (Overlap) -.386671022785E+00 0 64 fbar_{sp sigma} (equation 11) (Overlap) .935512745139E+00 0 65 g_{sp sigma} (equation 11) (Overlap) .363843753075E+02 0 66 e_{pp sigma} (equation 11) (Overlap) -.547071620534E+01 0 67 f_{pp sigma} (equation 11) (Overlap) -.130347184685E+01 0 68 fbar_{pp sigma} (equation 11) (Overlap) .935325413723E+00 0 69 g_{pp sigma} (equation 11) (Overlap) .307646364445E+00 0 70 e_{pp pi} (equation 11) (Overlap) .915782969911E+00 0 71 f_{pp pi} (equation 11) (Overlap) -.740488248498E-01 0 72 fbar_{pp pi} (equation 11) (Overlap) .801571288259E+00 0 73 g_{pp pi} (equation 11) (Overlap) .000000000000E+00 1 74 e_{sd sigma} (equation 11) (Overlap) .000000000000E+00 1 75 f_{sd sigma} (equation 11) (Overlap) .000000000000E+00 1 76 fbar_{sd sigma} (equation 11) (Overlap) .100000000000E+01 1 77 g_{sd sigma} (equation 11) (Overlap) .000000000000E+00 1 78 e_{pd sigma} (equation 11) (Overlap) .000000000000E+00 1 79 f_{pd sigma} (equation 11) (Overlap) .000000000000E+00 1 80 fbar_{pd sigma} (equation 11) (Overlap) .100000000000E+01 1 81 g_{pd sigma} (equation 11) (Overlap) .000000000000E+00 1 82 e_{pd pi} (equation 11) (Overlap) .000000000000E+00 1 83 f_{pd pi} (equation 11) (Overlap) .000000000000E+00 1 84 fbar_{pd pi} (equation 11) (Overlap) .100000000000E+01 1 85 g_{pd pi} (equation 11) (Overlap) .000000000000E+00 1 86 e_{dd sigma} (equation 11) (Overlap) .000000000000E+00 1 87 f_{dd sigma} (equation 11) (Overlap) .000000000000E+00 1 88 fbar_{dd sigma} (equation 11) (Overlap) .100000000000E+01 1 89 g_{dd sigma} (equation 11) (Overlap) .000000000000E+00 1 90 e_{dd pi} (equation 11) (Overlap) .000000000000E+00 1 91 f_{dd pi} (equation 11) (Overlap) .000000000000E+00 1 92 fbar_{dd pi} (equation 11) (Overlap) .100000000000E+01 1 93 g_{dd pi} (equation 11) (Overlap) .000000000000E+00 1 94 e_{dd delta} (equation 11) (Overlap) .000000000000E+00 1 95 f_{dd delta} (equation 11) (Overlap) .000000000000E+00 1 96 fbar_{dd delta} (equation 11) (Overlap) .100000000000E+01 1 97 g_{dd delta} (equation 11) (Overlap)