NM00000 (Old-style Overlap - Spin polarized) Colbalt (Co) -- Ferromagnetic -- 1 August 2000 (Papaconstantopoulos) 1 (One atom type in this file) 16.5 0.5 (RCUT and SCREENL for 1-1 interactions) 9 (Orbitals for atom 1) 58.9332 (Atomic Weight of Atom 1) 2.0 0.0 7.0 (formal spd valence occupancy for atom 1) .108112669602E+01 0 1 Co-up-001 lambda -.190281370511E+00 0 2 Co-up-002 a_s .628833848597E+00 0 3 Co-up-003 b_s .671912426968E+01 0 4 Co-up-004 c_s .492895609245E+01 0 5 Co-up-005 d_s .316050978249E+00 0 6 Co-up-006 a_p .762573252905E+01 0 7 Co-up-007 b_p .104548153346E+02 0 8 Co-up-008 c_p -.126564470000E+03 0 9 Co-up-009 d_p -.125609510579E-01 0 10 Co-up-010 a_t2g -.672200882554E+00 0 11 Co-up-011 b_t2g .148422631075E+01 0 12 Co-up-012 c_t2g .691286672848E+01 0 13 Co-up-013 d_t2g -.125609510579E-01 -101 14 Co-up-014 a_eg -.672200882554E+00 -111 15 Co-up-015 b_eg .148422631075E+01 -121 16 Co-up-016 c_eg .691286672848E+01 -131 17 Co-up-017 d_eg .548088729052E+01 0 18 Co-up-018 e_{ss sigma} (Ham.) -.108357640935E+01 0 19 Co-up-019 f_{ss sigma} (Ham.) -.301816494794E+00 0 20 Co-up-020 fbar_{ss sigma} (Ham.) .920326008196E+00 0 78 Co-up-021 g_{ss sigma} (Ham.) -.863976353934E+00 0 21 Co-up-022 e_{sp sigma} (Ham.) .964822500044E-01 0 22 Co-up-023 f_{sp sigma} (Ham.) -.345578213424E-02 0 23 Co-up-024 fbar_{sp sigma} (Ham.) .663066989648E+00 0 79 Co-up-025 g_{sp sigma} (Ham.) -.558212802088E+01 0 24 Co-up-026 e_{pp sigma} (Ham.) .862708169047E+00 0 25 Co-up-027 f_{pp sigma} (Ham.) .514746035185E+00 0 26 Co-up-028 fbar_{pp sigma} (Ham.) .825687097372E+00 0 80 Co-up-029 g_{pp sigma} (Ham.) .178626999410E+01 0 27 Co-up-030 e_{pp pi} (Ham.) .163565107594E+00 0 28 Co-up-031 f_{pp pi} (Ham.) -.805394303080E-01 0 29 Co-up-032 fbar_{pp pi} (Ham.) .716083480918E+00 0 81 Co-up-033 g_{pp pi} (Ham.) .257839859383E+01 0 30 Co-up-034 e_{sd sigma} (Ham.) .100357918265E+00 0 31 Co-up-035 f_{sd sigma} (Ham.) -.208939162028E+00 0 32 Co-up-036 fbar_{sd sigma} (Ham.) .897637226809E+00 0 82 Co-up-037 g_{sd sigma} (Ham.) .154973804831E+01 0 33 Co-up-038 e_{pd sigma} (Ham.) -.129978391559E+00 0 34 Co-up-039 f_{pd sigma} (Ham.) .438463051200E-02 0 35 Co-up-040 fbar_{pd sigma} (Ham.) .768354638258E+00 0 83 Co-up-041 g_{pd sigma} (Ham.) .350615693486E+01 0 36 Co-up-042 e_{pd pi} (Ham.) .241039958032E+01 0 37 Co-up-043 f_{pd pi} (Ham.) -.114691106835E+01 0 38 Co-up-044 fbar_{pd pi} (Ham.) .112603852026E+01 0 84 Co-up-045 g_{pd pi} (Ham.) -.202256436823E+01 0 39 Co-up-046 e_{dd sigma} (Ham.) .344997278691E+00 0 40 Co-up-047 f_{dd sigma} (Ham.) -.120899550935E+00 0 41 Co-up-048 fbar_{dd sigma} (Ham.) .977384726519E+00 0 85 Co-up-049 g_{dd sigma} (Ham.) .373819247423E+01 0 42 Co-up-050 e_{dd pi} (Ham.) .417338161389E+00 0 43 Co-up-051 f_{dd pi} (Ham.) -.225891272954E-01 0 44 Co-up-052 fbar_{dd pi} (Ham.) .105863756749E+01 0 86 Co-up-053 g_{dd pi} (Ham.) .281837841990E+03 0 45 Co-up-054 e_{dd delta} (Ham.) -.107769395819E+03 0 46 Co-up-055 f_{dd delta} (Ham.) -.563309648926E+01 0 47 Co-up-056 fbar_{dd delta} (Ham.) .152844784188E+01 0 87 Co-up-057 g_{dd delta} (Ham.) -.630049682988E+01 0 48 Co-up-058 e_{ss sigma} (Ovr.) .202349147493E+01 0 49 Co-up-059 f_{ss sigma} (Ovr.) .820295118535E+00 0 50 Co-up-060 fbar_{ss sigma} (Ovr.) .985758512270E+00 0 88 Co-up-061 g_{ss sigma} (Ovr.) -.959026485259E+01 0 51 Co-up-062 e_{sp sigma} (Ovr.) -.434282702460E+00 0 52 Co-up-063 f_{sp sigma} (Ovr.) .750735536186E+00 0 53 Co-up-064 fbar_{sp sigma} (Ovr.) .992271067645E+00 0 89 Co-up-065 g_{sp sigma} (Ovr.) -.191072905335E+01 0 54 Co-up-066 e_{pp sigma} (Ovr.) -.224126586757E+00 0 55 Co-up-067 f_{pp sigma} (Ovr.) -.507286521845E-01 0 56 Co-up-068 fbar_{pp sigma} (Ovr.) .852080086434E+00 0 90 Co-up-069 g_{pp sigma} (Ovr.) .137906436922E+01 0 57 Co-up-070 e_{pp pi} (Ovr.) .169175084938E+00 0 58 Co-up-071 f_{pp pi} (Ovr.) -.486935990489E-01 0 59 Co-up-072 fbar_{pp pi} (Ovr.) .890512091269E+00 0 91 Co-up-073 g_{pp pi} (Ovr.) -.156221849959E+02 0 60 Co-up-074 e_{sd sigma} (Ovr.) -.698252301011E+00 0 61 Co-up-075 f_{sd sigma} (Ovr.) .951385182526E+00 0 62 Co-up-076 fbar_{sd sigma} (Ovr.) .956927465844E+00 0 92 Co-up-077 g_{sd sigma} (Ovr.) -.310294777852E+00 0 63 Co-up-078 e_{pd sigma} (Ovr.) .124160442665E+01 0 64 Co-up-079 f_{pd sigma} (Ovr.) .405033357699E+00 0 65 Co-up-080 fbar_{pd sigma} (Ovr.) .100116017380E+01 0 93 Co-up-081 g_{pd sigma} (Ovr.) .228366034516E+01 0 66 Co-up-082 e_{pd pi} (Ovr.) -.159305054068E+00 0 67 Co-up-083 f_{pd pi} (Ovr.) -.381128521904E+00 0 68 Co-up-084 fbar_{pd pi} (Ovr.) .121483928291E+01 0 94 Co-up-085 g_{pd pi} (Ovr.) -.870304286706E+02 0 69 Co-up-086 e_{dd sigma} (Ovr.) .265811904918E+02 0 70 Co-up-087 f_{dd sigma} (Ovr.) .419854256310E+01 0 71 Co-up-088 fbar_{dd sigma} (Ovr.) .123804786582E+01 0 95 Co-up-089 g_{dd sigma} (Ovr.) -.328942362392E+01 0 72 Co-up-090 e_{dd pi} (Ovr.) -.451407274996E+00 0 73 Co-up-091 f_{dd pi} (Ovr.) .281256651255E-01 0 74 Co-up-092 fbar_{pp pi} (Ovr.) .104302562641E+01 0 96 Co-up-093 g_{dd pi} (Ovr.) -.642381367124E+02 0 75 Co-up-094 e_{dd delta} (Ovr.) .107529087472E+03 0 76 Co-up-095 f_{dd delta} (Ovr.) .124550199510E+02 0 77 Co-up-096 fbar_{dd delta} (Ovr.) .151107712255E+01 0 97 Co-up-097 g_{dd delta} (Ovr.) .111247704394E+01 0 1 Co-down-001 lambda -.973629129118E-01 0 2 Co-down-002 a_s .771066926858E+00 0 3 Co-down-003 b_s .392609094193E+01 0 4 Co-down-004 c_s -.113993698550E+02 0 5 Co-down-005 d_s .713679108609E+00 0 6 Co-down-006 a_p .663514821149E+01 0 7 Co-down-007 b_p -.322992054196E+00 0 8 Co-down-008 c_p -.760242756622E+02 0 9 Co-down-009 d_p .329622892298E-01 0 10 Co-down-010 a_t2g -.420506741868E+00 0 11 Co-down-011 b_t2g .172517586644E+01 0 12 Co-down-012 c_t2g .153864242389E+01 0 13 Co-down-013 d_t2g .329622892298E-01 -102 14 Co-down-014 a_eg -.420506741868E+00 -112 15 Co-down-015 b_eg .172517586644E+01 -122 16 Co-down-016 c_eg .153864242389E+01 -132 17 Co-down-017 d_eg .548088729052E+01 -181 18 Co-down-018 e_{ss sigma} (Ham.) -.108357640935E+01 -191 19 Co-down-019 f_{ss sigma} (Ham.) -.301816494794E+00 -201 20 Co-down-020 fbar_{ss sigma} (Ham.) .920326008196E+00 -781 78 Co-down-021 g_{ss sigma} (Ham.) -.863976353934E+00 -211 21 Co-down-022 e_{sp sigma} (Ham.) .964822500044E-01 -221 22 Co-down-023 f_{sp sigma} (Ham.) -.345578213424E-02 -231 23 Co-down-024 fbar_{sp sigma} (Ham.) .663066989648E+00 -791 79 Co-down-025 g_{sp sigma} (Ham.) -.558212802088E+01 -241 24 Co-down-026 e_{pp sigma} (Ham.) .862708169047E+00 -251 25 Co-down-027 f_{pp sigma} (Ham.) .514746035185E+00 -261 26 Co-down-028 fbar_{pp sigma} (Ham.) .825687097372E+00 -801 80 Co-down-029 g_{pp sigma} (Ham.) .178626999410E+01 -271 27 Co-down-030 e_{pp pi} (Ham.) .163565107594E+00 -281 28 Co-down-031 f_{pp pi} (Ham.) -.805394303080E-01 -291 29 Co-down-032 fbar_{pp pi} (Ham.) .716083480918E+00 -811 81 Co-down-033 g_{pp pi} (Ham.) .257839859383E+01 -301 30 Co-down-034 e_{sd sigma} (Ham.) .100357918265E+00 -311 31 Co-down-035 f_{sd sigma} (Ham.) -.208939162028E+00 -321 32 Co-down-036 fbar_{sd sigma} (Ham.) .897637226809E+00 -821 82 Co-down-037 g_{sd sigma} (Ham.) .154973804831E+01 -331 33 Co-down-038 e_{pd sigma} (Ham.) -.129978391559E+00 -341 34 Co-down-039 f_{pd sigma} (Ham.) .438463051200E-02 -351 35 Co-down-040 fbar_{pd sigma} (Ham.) .768354638258E+00 -831 83 Co-down-041 g_{pd sigma} (Ham.) .350615693486E+01 -361 36 Co-down-042 e_{pd pi} (Ham.) .241039958032E+01 -371 37 Co-down-043 f_{pd pi} (Ham.) -.114691106835E+01 -381 38 Co-down-044 fbar_{pd pi} (Ham.) .112603852026E+01 -841 84 Co-down-045 g_{pd pi} (Ham.) -.202256436823E+01 -391 39 Co-down-046 e_{dd sigma} (Ham.) .344997278691E+00 -401 40 Co-down-047 f_{dd sigma} (Ham.) -.120899550935E+00 -411 41 Co-down-048 fbar_{dd sigma} (Ham.) .977384726519E+00 -851 85 Co-down-049 g_{dd sigma} (Ham.) .373819247423E+01 -421 42 Co-down-050 e_{dd pi} (Ham.) .417338161389E+00 -431 43 Co-down-051 f_{dd pi} (Ham.) -.225891272954E-01 -441 44 Co-down-052 fbar_{dd pi} (Ham.) .105863756749E+01 -861 86 Co-down-053 g_{dd pi} (Ham.) .281837841990E+03 -451 45 Co-down-054 e_{dd delta} (Ham.) -.107769395819E+03 -461 46 Co-down-055 f_{dd delta} (Ham.) -.563309648926E+01 -471 47 Co-down-056 fbar_{dd delta} (Ham.) .152844784188E+01 -871 87 Co-down-057 g_{dd delta} (Ham.) -.630049682988E+01 -481 48 Co-down-058 e_{ss sigma} (Ovr.) .202349147493E+01 -491 49 Co-down-059 f_{ss sigma} (Ovr.) .820295118535E+00 -501 50 Co-down-060 fbar_{ss sigma} (Ovr.) .985758512270E+00 -881 88 Co-down-061 g_{ss sigma} (Ovr.) -.959026485259E+01 -511 51 Co-down-062 e_{sp sigma} (Ovr.) -.434282702460E+00 -521 52 Co-down-063 f_{sp sigma} (Ovr.) .750735536186E+00 -531 53 Co-down-064 fbar_{sp sigma} (Ovr.) .992271067645E+00 -891 89 Co-down-065 g_{sp sigma} (Ovr.) -.191072905335E+01 -541 54 Co-down-066 e_{pp sigma} (Ovr.) -.224126586757E+00 -551 55 Co-down-067 f_{pp sigma} (Ovr.) -.507286521845E-01 -561 56 Co-down-068 fbar_{pp sigma} (Ovr.) .852080086434E+00 -901 90 Co-down-069 g_{pp sigma} (Ovr.) .137906436922E+01 -571 57 Co-down-070 e_{pp pi} (Ovr.) .169175084938E+00 -581 58 Co-down-071 f_{pp pi} (Ovr.) -.486935990489E-01 -591 59 Co-down-072 fbar_{pp pi} (Ovr.) .890512091269E+00 -911 91 Co-down-073 g_{pp pi} (Ovr.) -.156221849959E+02 -601 60 Co-down-074 e_{sd sigma} (Ovr.) -.698252301011E+00 -611 61 Co-down-075 f_{sd sigma} (Ovr.) .951385182526E+00 -621 62 Co-down-076 fbar_{sd sigma} (Ovr.) .956927465844E+00 -921 92 Co-down-077 g_{sd sigma} (Ovr.) -.310294777852E+00 -631 63 Co-down-078 e_{pd sigma} (Ovr.) .124160442665E+01 -641 64 Co-down-079 f_{pd sigma} (Ovr.) .405033357699E+00 -651 65 Co-down-080 fbar_{pd sigma} (Ovr.) .100116017380E+01 -931 93 Co-down-081 g_{pd sigma} (Ovr.) .228366034516E+01 -661 66 Co-down-082 e_{pd pi} (Ovr.) -.159305054068E+00 -671 67 Co-down-083 f_{pd pi} (Ovr.) -.381128521904E+00 -681 68 Co-down-084 fbar_{pd pi} (Ovr.) .121483928291E+01 -941 94 Co-down-085 g_{pd pi} (Ovr.) -.870304286706E+02 -691 69 Co-down-086 e_{dd sigma} (Ovr.) .265811904918E+02 -701 70 Co-down-087 f_{dd sigma} (Ovr.) .419854256310E+01 -711 71 Co-down-088 fbar_{dd sigma} (Ovr.) .123804786582E+01 -951 95 Co-down-089 g_{dd sigma} (Ovr.) -.328942362392E+01 -721 72 Co-down-090 e_{dd pi} (Ovr.) -.451407274996E+00 -731 73 Co-down-091 f_{dd pi} (Ovr.) .281256651255E-01 -741 74 Co-down-092 fbar_{pp pi} (Ovr.) .104302562641E+01 -961 96 Co-down-093 g_{dd pi} (Ovr.) -.642381367124E+02 -751 75 Co-down-094 e_{dd delta} (Ovr.) .107529087472E+03 -761 76 Co-down-095 f_{dd delta} (Ovr.) .124550199510E+02 -771 77 Co-down-096 fbar_{dd delta} (Ovr.) .151107712255E+01 -971 97 Co-down-097 g_{dd delta} (Ovr.)