NN00000 (Old style Overlap Parameters) Calcium (Ca) 1 (One atom type in this file) 16.5 0.5 (RCUT and SCREENL for 1-1 interactions) 9 (Orbitals for atom 1) 40.08 (Atomic Weight of Atom 1) 2.0 0.0 0.0 (formal spd valence occupancy for atom 1) 1.12775283470E+00 0 1 lambda (equation 7) 2.43912110713E-01 0 2 a_s (equation 9) -1.73149632476E+01 0 3 b_s (equation 9) 5.96805785965E+02 0 4 c_s (equation 9) 0.00000000000E+00 1 5 d_s (equation 9) 1.67761299345E-01 0 6 a_p (equation 9) 1.87785461690E+01 0 7 b_p (equation 9) -2.11382269876E+02 0 8 c_p (equation 9) 0.00000000000E+00 1 9 d_p (equation 9) 2.31793170781E-01 0 10 a_t2g (equation 9) 2.56001213057E+00 0 11 b_t2g (equation 9) 4.43143910553E+00 0 12 c_t2g (equation 9) 0.00000000000E+00 1 13 d_t2g (equation 9) 2.31793170781E-01 0 14 a_eg (equation 9) 2.56001213057E+00 0 15 b_eg (equation 9) 4.43143910553E+00 0 16 c_eg (equation 9) 0.00000000000E+00 1 17 d_eg (equation 9) 1.03104934426E+02 0 18 e_{ss sigma} (equation 11) (Hamiltonian) -1.75892385029E+01 0 19 f_{ss sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 20 fbar_{ss sigma} (equation 11) (Hamiltonian) 9.40408605988E-01 0 21 g_{ss sigma} (equation 11) (Hamiltonian) -6.67410240871E+00 0 22 e_{sp sigma} (equation 11) (Hamiltonian) 1.23383520700E+00 0 23 f_{sp sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 24 fbar_{sp sigma} (equation 11) (Hamiltonian) 7.43630116064E-01 0 25 g_{sp sigma} (equation 11) (Hamiltonian) -2.74551127152E-01 0 26 e_{pp sigma} (equation 11) (Hamiltonian) 1.31541224332E-01 0 27 f_{pp sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 28 fbar_{pp sigma} (equation 11) (Hamiltonian) 6.19331334010E-01 0 29 g_{pp sigma} (equation 11) (Hamiltonian) -4.29276114611E+02 0 30 e_{pp pi} (equation 11) (Hamiltonian) 4.41084546543E+01 0 31 f_{pp pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 32 fbar_{pp pi} (equation 11) (Hamiltonian) 1.16964249306E+00 0 33 g_{pp pi} (equation 11) (Hamiltonian) 9.68472177114E-01 0 34 e_{sd sigma} (equation 11) (Hamiltonian) -2.37815347088E-01 0 35 f_{sd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 36 fbar_{sd sigma} (equation 11) (Hamiltonian) 7.16039591042E-01 0 37 g_{sd sigma} (equation 11) (Hamiltonian) 1.26136208393E+00 0 38 e_{pd sigma} (equation 11) (Hamiltonian) -2.09089648612E-01 0 39 f_{pd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 40 fbar_{pd sigma} (equation 11) (Hamiltonian) 6.70732677034E-01 0 41 g_{pd sigma} (equation 11) (Hamiltonian) 5.57016685548E-01 0 42 e_{pd pi} (equation 11) (Hamiltonian) -4.67466395621E-02 0 43 f_{pd pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 44 fbar_{pd pi} (equation 11) (Hamiltonian) 6.00788839366E-01 0 45 g_{pd pi} (equation 11) (Hamiltonian) 4.76025043920E+00 0 46 e_{dd sigma} (equation 11) (Hamiltonian) -9.11415106690E-01 0 47 f_{dd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 48 fbar_{dd sigma} (equation 11) (Hamiltonian) 8.17314381015E-01 0 49 g_{dd sigma} (equation 11) (Hamiltonian) -8.83123649055E-01 0 50 e_{dd pi} (equation 11) (Hamiltonian) 5.71571547354E-01 0 51 f_{dd pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 52 fbar_{dd pi} (equation 11) (Hamiltonian) 8.35312768008E-01 0 53 g_{dd pi} (equation 11) (Hamiltonian) 1.05244410646E+02 0 54 e_{dd delta} (equation 11) (Hamiltonian) -1.89498232713E+01 0 55 f_{dd delta} (equation 11) (Hamiltonian) 0.00000000000E+00 1 56 fbar_{dd delta} (equation 11) (Hamiltonian) 1.07735252843E+00 0 57 g_{dd delta} (equation 11) (Hamiltonian) 7.92707199473E+00 0 58 e_{ss sigma} (equation 11) (Overlap) -7.22811420156E-01 0 59 f_{ss sigma} (equation 11) (Overlap) 0.00000000000E+00 1 60 fbar_{ss sigma} (equation 11) (Overlap) 6.64862451385E-01 0 61 g_{ss sigma} (equation 11) (Overlap) 5.42081040772E+04 0 62 e_{sp sigma} (equation 11) (Overlap) -8.78336904753E+03 0 63 f_{sp sigma} (equation 11) (Overlap) 0.00000000000E+00 1 64 fbar_{sp sigma} (equation 11) (Overlap) 1.22836341034E+00 0 65 g_{sp sigma} (equation 11) (Overlap) 2.93593250352E+01 0 66 e_{pp sigma} (equation 11) (Overlap) -6.62150537573E+00 0 67 f_{pp sigma} (equation 11) (Overlap) 0.00000000000E+00 1 68 fbar_{pp sigma} (equation 11) (Overlap) 8.46627903650E-01 0 69 g_{pp sigma} (equation 11) (Overlap) -2.47332676350E+02 0 70 e_{pp pi} (equation 11) (Overlap) 4.47027869748E+01 0 71 f_{pp pi} (equation 11) (Overlap) 0.00000000000E+00 1 72 fbar_{pp pi} (equation 11) (Overlap) 9.65849562441E-01 0 73 g_{pp pi} (equation 11) (Overlap) -1.38111113065E+02 0 74 e_{sd sigma} (equation 11) (Overlap) 2.56352307974E+01 0 75 f_{sd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 76 fbar_{sd sigma} (equation 11) (Overlap) 9.15974323257E-01 0 77 g_{sd sigma} (equation 11) (Overlap) -7.63059763090E+01 0 78 e_{pd sigma} (equation 11) (Overlap) 1.38686750426E+01 0 79 f_{pd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 80 fbar_{pd sigma} (equation 11) (Overlap) 8.79879151838E-01 0 81 g_{pd sigma} (equation 11) (Overlap) -1.71792294697E-01 0 82 e_{pd pi} (equation 11) (Overlap) -3.17274621007E-01 0 83 f_{pd pi} (equation 11) (Overlap) 0.00000000000E+00 1 84 fbar_{pd pi} (equation 11) (Overlap) 7.26150437679E-01 0 85 g_{pd pi} (equation 11) (Overlap) -3.55883792326E+00 0 86 e_{dd sigma} (equation 11) (Overlap) 8.69100531947E-01 0 87 f_{dd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 88 fbar_{dd sigma} (equation 11) (Overlap) 7.21756367657E-01 0 89 g_{dd sigma} (equation 11) (Overlap) 1.67719087328E+01 0 90 e_{dd pi} (equation 11) (Overlap) -4.08872578290E+00 0 91 f_{dd pi} (equation 11) (Overlap) 0.00000000000E+00 1 92 fbar_{dd pi} (equation 11) (Overlap) 8.72084395647E-01 0 93 g_{dd pi} (equation 11) (Overlap) -5.68687461470E+01 0 94 e_{dd delta} (equation 11) (Overlap) 1.99516679017E+01 0 95 f_{dd delta} (equation 11) (Overlap) 0.00000000000E+00 1 96 fbar_{dd delta} (equation 11) (Overlap) 1.12435887480E+00 0 97 g_{dd delta} (equation 11) (Overlap)