NN00000 (Old style Overlap Parameters) Calcium (Ca): Wang et al., J. Phys. Chem. Solids (2002). 1 (One atom type in this file) 31.5 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) 0.114630256935E+01 0 1 Ca-001 lambda Calcium 0.474543137118E-01 0 2 Ca-002 a_s Fit to 0.106235597691E+02 0 3 Ca-003 b_s -0.524242572356E+03 0 4 Ca-004 c_s fcc 0.182040522311E+05 0 5 Ca-005 d_s 8.0 a.u. <= a <= 11.5 a.u. 0.131651542507E+00 0 6 Ca-006 a_p 0.433640839873E+02 0 7 Ca-007 b_p and -0.158116436950E+04 0 8 Ca-008 c_p 0.260170564083E+05 0 9 Ca-009 d_p bcc 0.151030488104E+00 0 10 Ca-010 a_t2g 7.2 a.u. <= a <= 8.4 a.u. 0.559553408833E+01 0 11 Ca-011 b_t2g -0.925179046388E+01 0 12 Ca-012 c_t2g RCUT = 31.5 -0.143749162119E+04 0 13 Ca-013 d_t2g SCREENL = 0.5 0.151030488104E+00 -10 14 Ca-014 a_eg 0.559553408833E+01 -11 15 Ca-015 b_eg -0.925179046388E+01 -12 16 Ca-016 c_eg -0.143749162119E+04 -13 17 Ca-017 d_eg 0.111768228668E+03 0 18 Ca-018 e_{ss sigma} (Ham.) -0.168123046551E+02 0 19 Ca-019 f_{ss sigma} (Ham.) -0.151808110124E+01 0 20 Ca-020 fbar_{ss sigma} (Ham.) 0.104103951021E+01 0 78 Ca-021 g_{ss sigma} (Ham.) -0.530994628380E+01 0 21 Ca-022 e_{sp sigma} (Ham.) 0.147251692881E+01 0 22 Ca-023 f_{sp sigma} (Ham.) -0.697091554911E-02 0 23 Ca-024 fbar_{sp sigma} (Ham.) 0.777991257215E+00 0 79 Ca-025 g_{sp sigma} (Ham.) -0.122630231606E+02 0 24 Ca-026 e_{pp sigma} (Ham.) 0.841957945085E+00 0 25 Ca-027 f_{pp sigma} (Ham.) 0.356750900305E+00 0 26 Ca-028 fbar_{pp sigma} (Ham.) 0.823432184580E+00 0 80 Ca-029 g_{pp sigma} (Ham.) 0.206826115280E+05 0 27 Ca-030 e_{pp pi} (Ham.) -0.111028159478E+04 0 28 Ca-031 f_{pp pi} (Ham.) -0.372557642084E+03 0 29 Ca-032 fbar_{pp pi} (Ham.) 0.145872508912E+01 0 81 Ca-033 g_{pp pi} (Ham.) 0.118539016315E+01 0 30 Ca-034 e_{sd sigma} (Ham.) -0.393103445025E+00 0 31 Ca-035 f_{sd sigma} (Ham.) 0.248176199462E-01 0 32 Ca-036 fbar_{sd sigma} (Ham.) 0.613513213598E+00 0 82 Ca-037 g_{sd sigma} (Ham.) 0.895277188475E+01 0 33 Ca-038 e_{pd sigma} (Ham.) -0.141764482929E+01 0 34 Ca-039 f_{pd sigma} (Ham.) -0.796993342981E-01 0 35 Ca-040 fbar_{pd sigma} (Ham.) 0.823129960240E+00 0 83 Ca-041 g_{pd sigma} (Ham.) 0.330131296273E+00 0 36 Ca-042 e_{pd pi} (Ham.) -0.230548505323E-01 0 37 Ca-043 f_{pd pi} (Ham.) -0.344765715153E-03 0 38 Ca-044 fbar_{pd pi} (Ham.) 0.561973751290E+00 0 84 Ca-045 g_{pd pi} (Ham.) -0.357006817452E+02 0 39 Ca-046 e_{dd sigma} (Ham.) 0.141906305844E+02 0 40 Ca-047 f_{dd sigma} (Ham.) -0.158850787622E+01 0 41 Ca-048 fbar_{dd sigma} (Ham.) 0.937902194813E+00 0 85 Ca-049 g_{dd sigma} (Ham.) -0.281385444078E+01 0 42 Ca-050 e_{dd pi} (Ham.) 0.104686438876E+01 0 43 Ca-051 f_{dd pi} (Ham.) -0.611288161389E-01 0 44 Ca-052 fbar_{dd pi} (Ham.) 0.755523939486E+00 0 86 Ca-053 g_{dd pi} (Ham.) -0.124706388138E+04 0 45 Ca-054 e_{dd delta} (Ham.) 0.611700536626E+03 0 46 Ca-055 f_{dd delta} (Ham.) -0.716130969465E+02 0 47 Ca-056 fbar_{dd delta} (Ham.) 0.125313740477E+01 0 87 Ca-057 g_{dd delta} (Ham.) 0.748555616010E+01 0 48 Ca-058 e_{ss sigma} (Ovr.) -0.827523211839E+00 0 49 Ca-059 f_{ss sigma} (Ovr.) 0.290231259857E-02 0 50 Ca-060 fbar_{ss sigma} (Ovr.) 0.659099026975E+00 0 88 Ca-061 g_{ss sigma} (Ovr.) 0.440898346075E+05 0 51 Ca-062 e_{sp sigma} (Ovr.) -0.867352981937E+04 0 52 Ca-063 f_{sp sigma} (Ovr.) 0.247797746521E+02 0 53 Ca-064 fbar_{sp sigma} (Ovr.) 0.130956170507E+01 0 89 Ca-065 g_{sp sigma} (Ovr.) 0.571066391607E+02 0 54 Ca-066 e_{pp sigma} (Ovr.) -0.242999707895E+02 0 55 Ca-067 f_{pp sigma} (Ovr.) 0.199504866099E+01 0 56 Ca-068 fbar_{pp sigma} (Ovr.) 0.874090405766E+00 0 90 Ca-069 g_{pp sigma} (Ovr.) 0.647984050435E+03 0 57 Ca-070 e_{pp pi} (Ovr.) -0.327470595846E+02 0 58 Ca-071 f_{pp pi} (Ovr.) 0.173890910229E+00 0 59 Ca-072 fbar_{pp pi} (Ovr.) 0.122067842576E+01 0 91 Ca-073 g_{pp pi} (Ovr.) -0.175119486312E+03 0 60 Ca-074 e_{sd sigma} (Ovr.) 0.277761869142E+02 0 61 Ca-075 f_{sd sigma} (Ovr.) 0.161470604619E+01 0 62 Ca-076 fbar_{sd sigma} (Ovr.) 0.984840429434E+00 0 92 Ca-077 g_{sd sigma} (Ovr.) -0.385249729668E+02 0 63 Ca-078 e_{pd sigma} (Ovr.) 0.118165424038E+02 0 64 Ca-079 f_{pd sigma} (Ovr.) -0.819203437266E+00 0 65 Ca-080 fbar_{pd sigma} (Ovr.) 0.802808928456E+00 0 93 Ca-081 g_{pd sigma} (Ovr.) -0.560751806032E+01 0 66 Ca-082 e_{pd pi} (Ovr.) 0.403305726788E+00 0 67 Ca-083 f_{pd pi} (Ovr.) -0.762137936886E-01 0 68 Ca-084 fbar_{pd pi} (Ovr.) 0.874887658131E+00 0 94 Ca-085 g_{pd pi} (Ovr.) -0.415097607074E+01 0 69 Ca-086 e_{dd sigma} (Ovr.) 0.154903135298E+01 0 70 Ca-087 f_{dd sigma} (Ovr.) -0.844580881152E-01 0 71 Ca-088 fbar_{dd sigma} (Ovr.) 0.768311374794E+00 0 95 Ca-089 g_{dd sigma} (Ovr.) -0.528498599334E+05 0 72 Ca-090 e_{dd pi} (Ovr.) 0.181966817313E+05 0 73 Ca-091 f_{dd pi} (Ovr.) -0.160704707088E+04 0 74 Ca-092 fbar_{pp pi} (Ovr.) 0.130654117596E+01 0 96 Ca-093 g_{dd pi} (Ovr.) 0.702804577475E+06 0 75 Ca-094 e_{dd delta} (Ovr.) -0.209274487335E+06 0 76 Ca-095 f_{dd delta} (Ovr.) 0.154904921298E+05 0 77 Ca-096 fbar_{dd delta} (Ovr.) 0.152415564147E+01 0 97 Ca-097 g_{dd delta} (Ovr.)