NN00000 (Old style Overlap Parameters) Titanium (Ti) 1 (One atom type in this file) 16.5 0.5 (RCUT and SCREENL for 1-1 interactions) 9 (Orbitals for atom 1) 47.90 (Atomic Weight of Atom 1) 2.0 0.0 2.0 (formal spd valence occupancy for atom 1) 1.30247714527E+00 0 1 lambda (equation 7) -1.53116261975E-02 0 2 a_s (equation 9) 1.82222264876E+01 0 3 b_s (equation 9) 2.12585569120E+03 0 4 c_s (equation 9) 3.35194469650E+03 0 5 d_s (equation 9) 3.73245967618E-01 0 6 a_p (equation 9) 2.87172692425E+01 0 7 b_p (equation 9) -6.66495711602E+01 0 8 c_p (equation 9) -1.89929008817E+03 0 9 d_p (equation 9) 1.44001058130E-01 0 10 a_t2g (equation 9) 5.62900257102E+00 0 11 b_t2g (equation 9) -1.11934293520E+02 0 12 c_t2g (equation 9) 4.39450901413E+03 0 13 d_t2g (equation 9) 1.44001058130E-01 0 14 a_eg (equation 9) 5.62900257102E+00 0 15 b_eg (equation 9) -1.11934293520E+02 0 16 c_eg (equation 9) 4.39450901413E+03 0 17 d_eg (equation 9) -3.04757587416E+01 0 18 e_{ss sigma} (equation 11) (Hamiltonian) 3.65364993568E-01 0 19 f_{ss sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 20 fbar_{ss sigma} (equation 11) (Hamiltonian) 1.02321919876E+00 0 21 g_{ss sigma} (equation 11) (Hamiltonian) 2.52625077886E+00 0 22 e_{sp sigma} (equation 11) (Hamiltonian) -6.91608705813E-02 0 23 f_{sp sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 24 fbar_{sp sigma} (equation 11) (Hamiltonian) 7.98877284976E-01 0 25 g_{sp sigma} (equation 11) (Hamiltonian) 1.15347757710E+00 0 26 e_{pp sigma} (equation 11) (Hamiltonian) -6.14490843584E-02 0 27 f_{pp sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 28 fbar_{pp sigma} (equation 11) (Hamiltonian) 5.59034855581E-01 0 29 g_{pp sigma} (equation 11) (Hamiltonian) -3.89462865038E+00 0 30 e_{pp pi} (equation 11) (Hamiltonian) 1.66897800151E+00 0 31 f_{pp pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 32 fbar_{pp pi} (equation 11) (Hamiltonian) 1.04813779377E+00 0 33 g_{pp pi} (equation 11) (Hamiltonian) -1.07381305124E+00 0 34 e_{sd sigma} (equation 11) (Hamiltonian) 6.14641418219E-02 0 35 f_{sd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 36 fbar_{sd sigma} (equation 11) (Hamiltonian) 7.50489359960E-01 0 37 g_{sd sigma} (equation 11) (Hamiltonian) -3.22172049046E-01 0 38 e_{pd sigma} (equation 11) (Hamiltonian) -2.21046972380E-03 0 39 f_{pd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 40 fbar_{pd sigma} (equation 11) (Hamiltonian) 6.24298680263E-01 0 41 g_{pd sigma} (equation 11) (Hamiltonian) 3.19996418974E-01 0 42 e_{pd pi} (equation 11) (Hamiltonian) -2.06480017203E-02 0 43 f_{pd pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 44 fbar_{pd pi} (equation 11) (Hamiltonian) 6.50894376766E-01 0 45 g_{pd pi} (equation 11) (Hamiltonian) -8.83253500726E-01 0 46 e_{dd sigma} (equation 11) (Hamiltonian) -1.06276100159E-02 0 47 f_{dd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 48 fbar_{dd sigma} (equation 11) (Hamiltonian) 7.48867597769E-01 0 49 g_{dd sigma} (equation 11) (Hamiltonian) 2.14980820478E+00 0 50 e_{dd pi} (equation 11) (Hamiltonian) 4.84974460612E-02 0 51 f_{dd pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 52 fbar_{dd pi} (equation 11) (Hamiltonian) 8.78521378055E-01 0 53 g_{dd pi} (equation 11) (Hamiltonian) 1.26998527415E+01 0 54 e_{dd delta} (equation 11) (Hamiltonian) -1.04050736312E+01 0 55 f_{dd delta} (equation 11) (Hamiltonian) 0.00000000000E+00 1 56 fbar_{dd delta} (equation 11) (Hamiltonian) 1.27903277763E+00 0 57 g_{dd delta} (equation 11) (Hamiltonian) 1.13429385431E+00 0 58 e_{ss sigma} (equation 11) (Overlap) -1.19575651421E-02 0 59 f_{ss sigma} (equation 11) (Overlap) 0.00000000000E+00 1 60 fbar_{ss sigma} (equation 11) (Overlap) 6.96534099679E-01 0 61 g_{ss sigma} (equation 11) (Overlap) -6.19605580985E+01 0 62 e_{sp sigma} (equation 11) (Overlap) 5.18187472158E-01 0 63 f_{sp sigma} (equation 11) (Overlap) 0.00000000000E+00 1 64 fbar_{sp sigma} (equation 11) (Overlap) 1.13619613531E+00 0 65 g_{sp sigma} (equation 11) (Overlap) -3.75785697472E+01 0 66 e_{pp sigma} (equation 11) (Overlap) 1.08077716192E+01 0 67 f_{pp sigma} (equation 11) (Overlap) 0.00000000000E+00 1 68 fbar_{pp sigma} (equation 11) (Overlap) 1.04439913789E+00 0 69 g_{pp sigma} (equation 11) (Overlap) 4.34031121725E+00 0 70 e_{pp pi} (equation 11) (Overlap) -3.75328209259E-03 0 71 f_{pp pi} (equation 11) (Overlap) 0.00000000000E+00 1 72 fbar_{pp pi} (equation 11) (Overlap) 8.60463298237E-01 0 73 g_{pp pi} (equation 11) (Overlap) 8.62354168436E-01 0 74 e_{sd sigma} (equation 11) (Overlap) 1.49028943783E-01 0 75 f_{sd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 76 fbar_{sd sigma} (equation 11) (Overlap) 7.63940843283E-01 0 77 g_{sd sigma} (equation 11) (Overlap) -1.98379065564E+00 0 78 e_{pd sigma} (equation 11) (Overlap) 6.17796013496E-01 0 79 f_{pd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 80 fbar_{pd sigma} (equation 11) (Overlap) 7.89514512405E-01 0 81 g_{pd sigma} (equation 11) (Overlap) 2.23527504495E+01 0 82 e_{pd pi} (equation 11) (Overlap) -5.63613533085E+00 0 83 f_{pd pi} (equation 11) (Overlap) 0.00000000000E+00 1 84 fbar_{pd pi} (equation 11) (Overlap) 1.09403533187E+00 0 85 g_{pd pi} (equation 11) (Overlap) -1.97034538459E-01 0 86 e_{dd sigma} (equation 11) (Overlap) 3.64505983664E-01 0 87 f_{dd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 88 fbar_{dd sigma} (equation 11) (Overlap) 8.52778398705E-01 0 89 g_{dd sigma} (equation 11) (Overlap) 4.03560418060E-01 0 90 e_{dd pi} (equation 11) (Overlap) -1.57338281864E+00 0 91 f_{dd pi} (equation 11) (Overlap) 0.00000000000E+00 1 92 fbar_{dd pi} (equation 11) (Overlap) 9.99799143142E-01 0 93 g_{dd pi} (equation 11) (Overlap) 3.44138511955E-01 0 94 e_{dd delta} (equation 11) (Overlap) -2.87068274013E-02 0 95 f_{dd delta} (equation 11) (Overlap) 0.00000000000E+00 1 96 fbar_{dd delta} (equation 11) (Overlap) 7.01862471588E-01 0 97 g_{dd delta} (equation 11) (Overlap)