NN00000 (Old style Overlap Parameters) Magnesium -- Gotsis et al., PRB 65, 134101 (2002) 1 (One atom type in this file) 16.5 0.5 (RCUT and SCREENL for 1-1 interactions) 9 (Orbitals for atom 1) 24.312 (Atomic Weight of Atom 1) 2.0 0.0 0.0 (formal spd valence occupancy for atom 1) 0.162304275229E+01 0 1 Mg-001 lambda (eq. 7) Magnesium -0.791874113344E-02 0 2 Mg-002 a_s (eq. 9) 0.753374247079E+03 0 3 Mg-003 b_s (eq. 9) R_{cut} = 16.5 -0.171101741177E+07 0 4 Mg-004 c_s (eq. 9) SCREENL = 0.5 0.208818649495E+10 0 5 Mg-005 d_s (eq. 9) 0.446600936141E+00 0 6 Mg-006 a_p (eq. 9) 0.627951515529E+02 0 7 Mg-007 b_p (eq. 9) 0.909209384890E+05 0 8 Mg-008 c_p (eq. 9) -0.105599164122E+08 0 9 Mg-009 d_p (eq. 9) 0.105148425694E+01 0 10 Mg-010 a_t2g (eq. 9) 0.559603293384E+02 0 11 Mg-011 b_t2g (eq. 9) 0.418803328222E+06 0 12 Mg-012 c_t2g (eq. 9) -0.962035467707E+09 0 13 Mg-013 d_t2g (eq. 9) 0.105148425694E+01 -10 14 Mg-014 a_eg (eq. 9) 0.559603293384E+02 -11 15 Mg-015 b_eg (eq. 9) 0.418803328222E+06 -12 16 Mg-016 c_eg (eq. 9) -0.962035467707E+09 -13 17 Mg-017 d_eg (eq. 9) 0.226798076097E+03 0 18 Mg-018 e_{ss sigma} (eq. 10) (Ham.) 0.912816524555E+01 0 19 Mg-019 f_{ss sigma} (eq. 10) (Ham.) -0.133417525093E+02 0 20 Mg-020 fbar_{ss sigma} (eq. 10) (Ham.) 0.115875881481E+01 0 78 Mg-021 g_{ss sigma} (eq. 10) (Ham.) 0.565962957260E+00 0 21 Mg-022 e_{sp sigma} (eq. 10) (Ham.) 0.719838404242E-01 0 22 Mg-023 f_{sp sigma} (eq. 10) (Ham.) -0.996537960662E-02 0 23 Mg-024 fbar_{sp sigma} (eq. 10) (Ham.) 0.606244092649E+00 0 79 Mg-025 g_{sp sigma} (eq. 10) (Ham.) -0.372091601378E+02 0 24 Mg-026 e_{pp sigma} (eq. 10) (Ham.) 0.654903723118E+01 0 25 Mg-027 f_{pp sigma} (eq. 10) (Ham.) 0.188791545396E+00 0 26 Mg-028 fbar_{pp sigma} (eq. 10) (Ham.) 0.880711602167E+00 0 80 Mg-029 g_{pp sigma} (eq. 10) (Ham.) -0.295350532552E+05 0 27 Mg-030 e_{pp pi} (eq. 10) (Ham.) 0.932151579243E+04 0 28 Mg-031 f_{pp pi} (eq. 10) (Ham.) -0.918561279249E+03 0 29 Mg-032 fbar_{pp pi} (eq. 10) (Ham.) 0.149044544781E+01 0 81 Mg-033 g_{pp pi} (eq. 10) (Ham.) -0.334942824600E+03 0 30 Mg-034 e_{sd sigma} (eq. 10) (Ham.) 0.740708633630E+02 0 31 Mg-035 f_{sd sigma} (eq. 10) (Ham.) -0.150554489921E+01 0 32 Mg-036 fbar_{sd sigma} (eq. 10) (Ham.) 0.111578451872E+01 0 82 Mg-037 g_{sd sigma} (eq. 10) (Ham.) -0.143227668466E+03 0 33 Mg-038 e_{pd sigma} (eq. 10) (Ham.) 0.327285744806E+01 0 34 Mg-039 f_{pd sigma} (eq. 10) (Ham.) 0.440516890627E+01 0 35 Mg-040 fbar_{pd sigma} (eq. 10) (Ham.) 0.111424148901E+01 0 83 Mg-041 g_{pd sigma} (eq. 10) (Ham.) -0.228964513436E-01 0 36 Mg-042 e_{pd pi} (eq. 10) (Ham.) -0.296666132824E+00 0 37 Mg-043 f_{pd pi} (eq. 10) (Ham.) 0.262829949886E-01 0 38 Mg-044 fbar_{pd pi} (eq. 10) (Ham.) 0.725781749123E+00 0 84 Mg-045 g_{pd pi} (eq. 10) (Ham.) 0.361152319814E+03 0 39 Mg-046 e_{dd sigma} (eq. 10) (Ham.) -0.693735201490E+01 0 40 Mg-047 f_{dd sigma} (eq. 10) (Ham.) -0.893166353634E+01 0 41 Mg-048 fbar_{dd sigma} (eq. 10) (Ham.) 0.106353545319E+01 0 85 Mg-049 g_{dd sigma} (eq. 10) (Ham.) -0.323261949770E+03 0 42 Mg-050 e_{dd pi} (eq. 10) (Ham.) 0.880647911691E+01 0 43 Mg-051 f_{dd pi} (eq. 10) (Ham.) 0.135942477068E+02 0 44 Mg-052 fbar_{dd pi} (eq. 10) (Ham.) 0.120782750187E+01 0 86 Mg-053 g_{dd pi} (eq. 10) (Ham.) 0.124441264752E+03 0 45 Mg-054 e_{dd delta} (eq. 10) (Ham.) -0.342134426995E+02 0 46 Mg-055 f_{dd delta} (eq. 10) (Ham.) -0.470466803171E+01 0 47 Mg-056 fbar_{dd delta} (eq. 10) (Ham.) 0.130937732716E+01 0 87 Mg-057 g_{dd delta} (eq. 10) (Ham.) 0.264797702312E-01 0 48 Mg-058 e_{ss sigma} (eq. 10) (Ovr.) 0.239368213165E+01 0 49 Mg-059 f_{ss sigma} (eq. 10) (Ovr.) -0.202480973881E+00 0 50 Mg-060 fbar_{ss sigma} (eq. 10) (Ovr.) 0.850067991369E+00 0 88 Mg-061 g_{ss sigma} (eq. 10) (Ovr.) 0.909088276677E+03 0 51 Mg-062 e_{sp sigma} (eq. 10) (Ovr.) -0.401661006908E+02 0 52 Mg-063 f_{sp sigma} (eq. 10) (Ovr.) -0.369450052668E+02 0 53 Mg-064 fbar_{sp sigma} (eq. 10) (Ovr.) 0.118819265257E+01 0 89 Mg-065 g_{sp sigma} (eq. 10) (Ovr.) 0.300674487444E+03 0 54 Mg-066 e_{pp sigma} (eq. 10) (Ovr.) -0.238938385660E-01 0 55 Mg-067 f_{pp sigma} (eq. 10) (Ovr.) -0.182264511205E+02 0 56 Mg-068 fbar_{pp sigma} (eq. 10) (Ovr.) 0.112700873833E+01 0 90 Mg-069 g_{pp sigma} (eq. 10) (Ovr.) -0.619972665178E+01 0 57 Mg-070 e_{pp pi} (eq. 10) (Ovr.) -0.287668506354E+02 0 58 Mg-071 f_{pp pi} (eq. 10) (Ovr.) 0.696596079338E+01 0 59 Mg-072 fbar_{pp pi} (eq. 10) (Ovr.) 0.108394348385E+01 0 91 Mg-073 g_{pp pi} (eq. 10) (Ovr.) 0.378686591861E+05 0 60 Mg-074 e_{sd sigma} (eq. 10) (Ovr.) -0.204873396064E+04 0 61 Mg-075 f_{sd sigma} (eq. 10) (Ovr.) -0.117092228794E+04 0 62 Mg-076 fbar_{sd sigma} (eq. 10) (Ovr.) 0.142754500173E+01 0 92 Mg-077 g_{sd sigma} (eq. 10) (Ovr.) 0.761532341167E+02 0 63 Mg-078 e_{pd sigma} (eq. 10) (Ovr.) -0.197568400073E+02 0 64 Mg-079 f_{pd sigma} (eq. 10) (Ovr.) -0.381946529807E+00 0 65 Mg-080 fbar_{pd sigma} (eq. 10) (Ovr.) 0.100000000000E+01 1 93 Mg-081 g_{pd sigma} (eq. 10) (Ovr.) -0.151740218311E+05 0 66 Mg-082 e_{pd pi} (eq. 10) (Ovr.) 0.374893582060E+04 0 67 Mg-083 f_{pd pi} (eq. 10) (Ovr.) -0.921542372458E+02 0 68 Mg-084 fbar_{pd pi} (eq. 10) (Ovr.) 0.139036557542E+01 0 94 Mg-085 g_{pd pi} (eq. 10) (Ovr.) -0.473981140953E+01 0 69 Mg-086 e_{dd sigma} (eq. 10) (Ovr.) 0.535347469731E+01 0 70 Mg-087 f_{dd sigma} (eq. 10) (Ovr.) -0.545063995819E+00 0 71 Mg-088 fbar_{dd sigma} (eq. 10) (Ovr.) 0.826780759207E+00 0 95 Mg-089 g_{dd sigma} (eq. 10) (Ovr.) -0.801196918463E+04 0 72 Mg-090 e_{dd pi} (eq. 10) (Ovr.) 0.327807989685E+04 0 73 Mg-091 f_{dd pi} (eq. 10) (Ovr.) -0.358896369236E+03 0 74 Mg-092 fbar_{dd pi} (eq. 10) (Ovr.) 0.127474740994E+01 0 96 Mg-093 g_{dd pi} (eq. 10) (Ovr.) -0.504851186697E+02 0 75 Mg-094 e_{dd delta} (eq. 10) (Ovr.) 0.495316494981E+01 0 76 Mg-095 f_{dd delta} (eq. 10) (Ovr.) 0.182814281070E+01 0 77 Mg-096 fbar_{dd delta} (eq. 10) (Ovr.) 0.115956199921E+01 0 97 Mg-097 g_{dd delta} (eq. 10) (Ovr.)