NM00000 (Old-style Overlap - Spin polarized) Nickel (Ni) -- Ferromagnetic -- 15 February 2000 -- fcc, bcc, sc 1 (One atom type in this file) 16.5 0.5 (RCUT and SCREENL for 1-1 interactions) 9 (Orbitals for atom 1) 58.71 (Atomic Weight of Atom 1) 2.0 0.0 8.0 (formal spd valence occupancy for atom 1) .112094625523E+01 0 1 Ni-up-001 lambda -.330170881633E+00 0 2 Ni-up-002 a_s .447385175170E+01 0 3 Ni-up-003 b_s .194257651985E+02 0 4 Ni-up-004 c_s -.175959989358E+03 0 5 Ni-up-005 d_s .399001004906E+00 0 6 Ni-up-006 a_p .600841861981E+01 0 7 Ni-up-007 b_p .481924379790E+01 0 8 Ni-up-008 c_p -.145874207785E+03 0 9 Ni-up-009 d_p -.335435012231E-01 0 10 Ni-up-010 a_t2g -.488061668115E+00 0 11 Ni-up-011 b_t2g .251034504931E+01 0 12 Ni-up-012 c_t2g .256485228985E+01 0 13 Ni-up-013 d_t2g -.335435012231E-01 -101 14 Ni-up-014 a_eg -.488061668115E+00 -111 15 Ni-up-015 b_eg .251034504931E+01 -121 16 Ni-up-016 c_eg .256485228985E+01 -131 17 Ni-up-017 d_eg .178119481088E+01 0 18 Ni-up-018 e_{ss sigma} (Ham.) -.631979484477E+00 0 19 Ni-up-019 f_{ss sigma} (Ham.) -.124141529294E+00 0 20 Ni-up-020 fbar_{ss sigma} (Ham.) .879476486620E+00 0 78 Ni-up-021 g_{ss sigma} (Ham.) -.903674250925E+00 0 21 Ni-up-022 e_{sp sigma} (Ham.) .136766030458E+00 0 22 Ni-up-023 f_{sp sigma} (Ham.) -.661173418066E-02 0 23 Ni-up-024 fbar_{sp sigma} (Ham.) .578917710270E+00 0 79 Ni-up-025 g_{sp sigma} (Ham.) -.838552795727E+01 0 24 Ni-up-026 e_{pp sigma} (Ham.) .110475542522E+01 0 25 Ni-up-027 f_{pp sigma} (Ham.) .526939433279E+00 0 26 Ni-up-028 fbar_{pp sigma} (Ham.) .863019173069E+00 0 80 Ni-up-029 g_{pp sigma} (Ham.) .752605190025E+00 0 27 Ni-up-030 e_{pp pi} (Ham.) .209924521190E+00 0 28 Ni-up-031 f_{pp pi} (Ham.) -.749798426274E-01 0 29 Ni-up-032 fbar_{pp pi} (Ham.) .743109950052E+00 0 81 Ni-up-033 g_{pp pi} (Ham.) .149116526997E+01 0 30 Ni-up-034 e_{sd sigma} (Ham.) .668650898990E-01 0 31 Ni-up-035 f_{sd sigma} (Ham.) -.194660540696E+00 0 32 Ni-up-036 fbar_{sd sigma} (Ham.) .944289605435E+00 0 82 Ni-up-037 g_{sd sigma} (Ham.) .109407667857E+01 0 33 Ni-up-038 e_{pd sigma} (Ham.) -.999438053338E-01 0 34 Ni-up-039 f_{pd sigma} (Ham.) .267881707627E-01 0 35 Ni-up-040 fbar_{pd sigma} (Ham.) .809055607291E+00 0 83 Ni-up-041 g_{pd sigma} (Ham.) -.172528078195E+01 0 36 Ni-up-042 e_{pd pi} (Ham.) -.520408688405E+00 0 37 Ni-up-043 f_{pd pi} (Ham.) .304637927085E-01 0 38 Ni-up-044 fbar_{pd pi} (Ham.) .102974555973E+01 0 84 Ni-up-045 g_{pd pi} (Ham.) -.264756990009E+01 0 39 Ni-up-046 e_{dd sigma} (Ham.) .241349830724E+00 0 40 Ni-up-047 f_{dd sigma} (Ham.) -.157665817545E+00 0 41 Ni-up-048 fbar_{dd sigma} (Ham.) .102626198219E+01 0 85 Ni-up-049 g_{dd sigma} (Ham.) .276153459405E+01 0 42 Ni-up-050 e_{dd pi} (Ham.) .876173565948E+00 0 43 Ni-up-051 f_{dd pi} (Ham.) .256147241741E-01 0 44 Ni-up-052 fbar_{dd pi} (Ham.) .109658420728E+01 0 86 Ni-up-053 g_{dd pi} (Ham.) .256260391793E+03 0 45 Ni-up-054 e_{dd delta} (Ham.) -.752828077882E+02 0 46 Ni-up-055 f_{dd delta} (Ham.) .211439473559E+01 0 47 Ni-up-056 fbar_{dd delta} (Ham.) .139005412220E+01 0 87 Ni-up-057 g_{dd delta} (Ham.) -.454208666998E+01 0 48 Ni-up-058 e_{ss sigma} (Ovr.) .255401971422E+01 0 49 Ni-up-059 f_{ss sigma} (Ovr.) .887568798041E+00 0 50 Ni-up-060 fbar_{ss sigma} (Ovr.) .103040662489E+01 0 88 Ni-up-061 g_{ss sigma} (Ovr.) .502982351776E+01 0 51 Ni-up-062 e_{sp sigma} (Ovr.) .979167872794E+00 0 52 Ni-up-063 f_{sp sigma} (Ovr.) .124902501468E+01 0 53 Ni-up-064 fbar_{sp sigma} (Ovr.) .122774393919E+01 0 89 Ni-up-065 g_{sp sigma} (Ovr.) .966306995488E+00 0 54 Ni-up-066 e_{pp sigma} (Ovr.) -.734080322678E+00 0 55 Ni-up-067 f_{pp sigma} (Ovr.) -.135247866957E+00 0 56 Ni-up-068 fbar_{pp sigma} (Ovr.) .831201496675E+00 0 90 Ni-up-069 g_{pp sigma} (Ovr.) .189151732105E+01 0 57 Ni-up-070 e_{pp pi} (Ovr.) -.364459959385E+00 0 58 Ni-up-071 f_{pp pi} (Ovr.) .329771240832E-01 0 59 Ni-up-072 fbar_{pp pi} (Ovr.) .700025547880E+00 0 91 Ni-up-073 g_{pp pi} (Ovr.) -.125436157645E+02 0 60 Ni-up-074 e_{sd sigma} (Ovr.) -.110314520000E+01 0 61 Ni-up-075 f_{sd sigma} (Ovr.) .800291822002E+00 0 62 Ni-up-076 fbar_{sd sigma} (Ovr.) .984318988459E+00 0 92 Ni-up-077 g_{sd sigma} (Ovr.) -.102702075161E+03 0 63 Ni-up-078 e_{pd sigma} (Ovr.) .536764903284E+01 0 64 Ni-up-079 f_{pd sigma} (Ovr.) .564132854694E+01 0 65 Ni-up-080 fbar_{pd sigma} (Ovr.) .125079624657E+01 0 93 Ni-up-081 g_{pd sigma} (Ovr.) .360233013891E+01 0 66 Ni-up-082 e_{pd pi} (Ovr.) .402876534624E+00 0 67 Ni-up-083 f_{pd pi} (Ovr.) -.233470011210E+00 0 68 Ni-up-084 fbar_{pd pi} (Ovr.) .850220011638E+00 0 94 Ni-up-085 g_{pd pi} (Ovr.) .285452937316E+03 0 69 Ni-up-086 e_{dd sigma} (Ovr.) .187351076913E+02 0 70 Ni-up-087 f_{dd sigma} (Ovr.) -.163785043328E+02 0 71 Ni-up-088 fbar_{dd sigma} (Ovr.) .131869662563E+01 0 95 Ni-up-089 g_{dd sigma} (Ovr.) -.579520261958E+01 0 72 Ni-up-090 e_{dd pi} (Ovr.) -.431501275950E+00 0 73 Ni-up-091 f_{dd pi} (Ovr.) .169188336556E+00 0 74 Ni-up-092 fbar_{pp pi} (Ovr.) .105025916618E+01 0 96 Ni-up-093 g_{dd pi} (Ovr.) .169544117565E+03 0 75 Ni-up-094 e_{dd delta} (Ovr.) -.108056221260E+03 0 76 Ni-up-095 f_{dd delta} (Ovr.) .169761852739E+02 0 77 Ni-up-096 fbar_{dd delta} (Ovr.) .135150452548E+01 0 97 Ni-up-097 g_{dd delta} (Ovr.) .112777020622E+01 0 1 Ni-down-001 lambda -.110688754603E+00 0 2 Ni-down-002 a_s .253088454385E+01 0 3 Ni-down-003 b_s .413265232524E+01 0 4 Ni-down-004 c_s -.455512616924E+02 0 5 Ni-down-005 d_s .609696007439E+00 0 6 Ni-down-006 a_p .585133648473E+01 0 7 Ni-down-007 b_p -.315071975178E+02 0 8 Ni-down-008 c_p .511737054453E+02 0 9 Ni-down-009 d_p .979124608499E-02 0 10 Ni-down-010 a_t2g -.464953557744E+00 0 11 Ni-down-011 b_t2g .141169394289E+01 0 12 Ni-down-012 c_t2g .272857892484E+01 0 13 Ni-down-013 d_t2g .979124608499E-02 -102 14 Ni-down-014 a_eg -.464953557744E+00 -112 15 Ni-down-015 b_eg .141169394289E+01 -122 16 Ni-down-016 c_eg .272857892484E+01 -132 17 Ni-down-017 d_eg .178119481088E+01 -181 18 Ni-down-018 e_{ss sigma} (Ham.) -.631979484477E+00 -191 19 Ni-down-019 f_{ss sigma} (Ham.) -.124141529294E+00 -201 20 Ni-down-020 fbar_{ss sigma}(Ham.) .879476486620E+00 -781 78 Ni-down-021 g_{ss sigma} (Ham.) -.903674250925E+00 -211 21 Ni-down-022 e_{sp sigma} (Ham.) .136766030458E+00 -221 22 Ni-down-023 f_{sp sigma} (Ham.) -.661173418066E-02 -231 23 Ni-down-024 fbar_{sp sigma}(Ham.) .578917710270E+00 -791 79 Ni-down-025 g_{sp sigma} (Ham.) -.838552795727E+01 -241 24 Ni-down-026 e_{pp sigma} (Ham.) .110475542522E+01 -251 25 Ni-down-027 f_{pp sigma} (Ham.) .526939433279E+00 -261 26 Ni-down-028 fbar_{pp sigma}(Ham.) .863019173069E+00 -801 80 Ni-down-029 g_{pp sigma} (Ham.) .752605190025E+00 -271 27 Ni-down-030 e_{pp pi} (Ham.) .209924521190E+00 -281 28 Ni-down-031 f_{pp pi} (Ham.) -.749798426274E-01 -291 29 Ni-down-032 fbar_{pp pi} (Ham.) .743109950052E+00 -811 81 Ni-down-033 g_{pp pi} (Ham.) .149116526997E+01 -301 30 Ni-down-034 e_{sd sigma} (Ham.) .668650898990E-01 -311 31 Ni-down-035 f_{sd sigma} (Ham.) -.194660540696E+00 -321 32 Ni-down-036 fbar_{sd sigma}(Ham.) .944289605435E+00 -821 82 Ni-down-037 g_{sd sigma} (Ham.) .109407667857E+01 -331 33 Ni-down-038 e_{pd sigma} (Ham.) -.999438053338E-01 -341 34 Ni-down-039 f_{pd sigma} (Ham.) .267881707627E-01 -351 35 Ni-down-040 fbar_{pd sigma}(Ham.) .809055607291E+00 -831 83 Ni-down-041 g_{pd sigma} (Ham.) -.172528078195E+01 -361 36 Ni-down-042 e_{pd pi} (Ham.) -.520408688405E+00 -371 37 Ni-down-043 f_{pd pi} (Ham.) .304637927085E-01 -381 38 Ni-down-044 fbar_{pd pi} (Ham.) .102974555973E+01 -841 84 Ni-down-045 g_{pd pi} (Ham.) -.264756990009E+01 -391 39 Ni-down-046 e_{dd sigma} (Ham.) .241349830724E+00 -401 40 Ni-down-047 f_{dd sigma} (Ham.) -.157665817545E+00 -411 41 Ni-down-048 fbar_{dd sigma}(Ham.) .102626198219E+01 -851 85 Ni-down-049 g_{dd sigma} (Ham.) .276153459405E+01 -421 42 Ni-down-050 e_{dd pi} (Ham.) .876173565948E+00 -431 43 Ni-down-051 f_{dd pi} (Ham.) .256147241741E-01 -441 44 Ni-down-052 fbar_{dd pi} (Ham.) .109658420728E+01 -861 86 Ni-down-053 g_{dd pi} (Ham.) .256260391793E+03 -451 45 Ni-down-054 e_{dd delta} (Ham.) -.752828077882E+02 -461 46 Ni-down-055 f_{dd delta} (Ham.) .211439473559E+01 -471 47 Ni-down-056 fbar_{dd delta}(Ham.) .139005412220E+01 -871 87 Ni-down-057 g_{dd delta} (Ham.) -.454208666998E+01 -481 48 Ni-down-058 e_{ss sigma} (Ovr.) .255401971422E+01 -491 49 Ni-down-059 f_{ss sigma} (Ovr.) .887568798041E+00 -501 50 Ni-down-060 fbar_{ss sigma}(Ovr.) .103040662489E+01 -881 88 Ni-down-061 g_{ss sigma} (Ovr.) .502982351776E+01 -511 51 Ni-down-062 e_{sp sigma} (Ovr.) .979167872794E+00 -521 52 Ni-down-063 f_{sp sigma} (Ovr.) .124902501468E+01 -531 53 Ni-down-064 fbar_{sp sigma}(Ovr.) .122774393919E+01 -891 89 Ni-down-065 g_{sp sigma} (Ovr.) .966306995488E+00 -541 54 Ni-down-066 e_{pp sigma} (Ovr.) -.734080322678E+00 -551 55 Ni-down-067 f_{pp sigma} (Ovr.) -.135247866957E+00 -561 56 Ni-down-068 fbar_{pp sigma}(Ovr.) .831201496675E+00 -901 90 Ni-down-069 g_{pp sigma} (Ovr.) .189151732105E+01 -571 57 Ni-down-070 e_{pp pi} (Ovr.) -.364459959385E+00 -581 58 Ni-down-071 f_{pp pi} (Ovr.) .329771240832E-01 -591 59 Ni-down-072 fbar_{pp pi} (Ovr.) .700025547880E+00 -911 91 Ni-down-073 g_{pp pi} (Ovr.) -.125436157645E+02 -601 60 Ni-down-074 e_{sd sigma} (Ovr.) -.110314520000E+01 -611 61 Ni-down-075 f_{sd sigma} (Ovr.) .800291822002E+00 -621 62 Ni-down-076 fbar_{sd sigma}(Ovr.) .984318988459E+00 -921 92 Ni-down-077 g_{sd sigma} (Ovr.) -.102702075161E+03 -631 63 Ni-down-078 e_{pd sigma} (Ovr.) .536764903284E+01 -641 64 Ni-down-079 f_{pd sigma} (Ovr.) .564132854694E+01 -651 65 Ni-down-080 fbar_{pd sigma}(Ovr.) .125079624657E+01 -931 93 Ni-down-081 g_{pd sigma} (Ovr.) .360233013891E+01 -661 66 Ni-down-082 e_{pd pi} (Ovr.) .402876534624E+00 -671 67 Ni-down-083 f_{pd pi} (Ovr.) -.233470011210E+00 -681 68 Ni-down-084 fbar_{pd pi} (Ovr.) .850220011638E+00 -941 94 Ni-down-085 g_{pd pi} (Ovr.) .285452937316E+03 -691 69 Ni-down-086 e_{dd sigma} (Ovr.) .187351076913E+02 -701 70 Ni-down-087 f_{dd sigma} (Ovr.) -.163785043328E+02 -711 71 Ni-down-088 fbar_{dd sigma}(Ovr.) .131869662563E+01 -951 95 Ni-down-089 g_{dd sigma} (Ovr.) -.579520261958E+01 -721 72 Ni-down-090 e_{dd pi} (Ovr.) -.431501275950E+00 -731 73 Ni-down-091 f_{dd pi} (Ovr.) .169188336556E+00 -741 74 Ni-down-092 fbar_{pp pi} (Ovr.) .105025916618E+01 -961 96 Ni-down-093 g_{dd pi} (Ovr.) .169544117565E+03 -751 75 Ni-down-094 e_{dd delta} (Ovr.) -.108056221260E+03 -761 76 Ni-down-095 f_{dd delta} (Ovr.) .169761852739E+02 -771 77 Ni-down-096 fbar_{dd delta}(Ovr.) .135150452548E+01 -971 97 Ni-down-097 g_{dd delta} (Ovr.)