NN00000 (Old style Overlap Parameters) Titanium (Ti) -- Dimitris' November 19, 1998 fit to fcc and bcc GGA energies 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) .119715733654E+01 0 11 Ti exp TiAl .246385047336E+00 0 22 Ti s TiAl .101180622525E+01 0 33 TiAl .406656312571E+03 0 44 TiAl .286436724043E+02 0 55 TiAl .274076773693E+00 0 66 Ti p TiAl .178280388725E+02 0 77 TiAl .124957147100E+03 0 88 TiAl -.279200280439E+04 0 99 TiAl .152214429463E+00 0 100 Ti d (t_2g) TiAl .455716283196E+00 0 111 TiAl .294150160823E+02 0 122 TiAl -.201874633777E+02 0 133 TiAl .152214429463E+00 1 144 Ti d (e_g) TiAl .455716283196E+00 1 155 TiAl .294150160823E+02 1 166 TiAl -.201874633777E+02 1 177 TiAl .195424993487E+02 0 188 Ti sss A-A TiAl -.936501238375E+01 0 199 TiAl .942996115345E-02 0 200 TiAl .104713593973E+01 0 218 sss exp Ti TiAl -.175190593407E+01 0 221 Ti sps TiAl .109552954904E+01 0 232 TiAl -.129676127452E-01 0 243 TiAl .819992870102E+00 0 259 sps exp Ti TiAl .135514903013E+01 0 264 Ti pps TiAl -.849814735315E-02 0 275 TiAl -.383151881462E-03 0 286 TiAl .613418197309E+00 0 290 pps exp Ti TiAl .201807379583E+02 0 307 Ti ppp TiAl .296546648603E+02 0 318 TiAl .881018872223E+01 0 329 TiAl .140507163727E+01 0 331 ppp exp Ti TiAl .158737592642E+00 0 340 Ti sds TiAl -.101249092625E+00 0 351 TiAl -.130490160944E-02 0 362 TiAl .833211171006E+00 0 372 sds exp Ti TiAl .577530142746E-01 0 383 Ti pds TiAl -.896141051589E-01 0 394 TiAl .548691162049E-03 0 405 TiAl .655277239463E+00 0 413 pds exp Ti TiAl .593504767390E+00 0 426 Ti pdp TiAl -.502641415498E-01 0 437 TiAl .712223369452E-03 0 448 TiAl .664947297795E+00 0 454 pdp exp Ti TiAl -.869280417257E-01 0 469 Ti dds TiAl -.160831780500E+00 0 470 TiAl .615793956173E-03 0 481 TiAl .761793887502E+00 0 495 dds exp Ti TiAl .148340817059E+01 0 502 Ti ddp TiAl .132893191463E+00 0 513 TiAl .347489929379E-03 0 524 TiAl .869580887420E+00 0 536 ddp exp Ti TiAl .516817917523E+00 0 545 Ti ddd TiAl -.217205135347E+01 0 556 TiAl .157825882214E-01 0 567 TiAl .115100707139E+01 0 577 ddd exp Ti TiAl .180124701970E+01 0 588 Ti sss ov TiAl -.560109886179E+00 0 599 TiAl .195562540919E+00 0 600 TiAl .973975648261E+00 0 618 sss exp ov Ti TiAl -.371460254315E+01 0 621 Ti sps ov TiAl .319571119147E+01 0 632 TiAl -.159703845398E+01 0 643 TiAl .103088034183E+01 0 659 sps exp ov Ti TiAl -.779478548533E+01 0 664 Ti pps ov TiAl .473904324191E+01 0 675 TiAl -.141021350531E+01 0 686 TiAl .122274708673E+01 0 690 pps exp ov Ti TiAl .103440510933E+02 0 707 Ti ppp ov TiAl -.388691619951E+01 0 718 TiAl .158939098092E+01 0 729 TiAl .109795729738E+01 0 731 ppp exp ov Ti TiAl .508537058699E+00 0 740 Ti sds ov TiAl -.118321626986E+01 0 751 TiAl .152354793410E+01 0 762 TiAl .102012694392E+01 0 772 sds exp ov Ti TiAl .728955627920E+01 0 783 Ti pds ov TiAl -.747087407152E+01 0 794 TiAl .215593911199E+01 0 805 TiAl .113338784824E+01 0 813 pds exp ov Ti TiAl -.370226751935E+01 0 826 Ti pdp ov TiAl -.621316339886E+01 0 837 TiAl -.778716846136E+00 0 848 TiAl .136765730046E+01 0 854 pdp exp ov Ti TiAl .144336475014E+02 0 869 Ti dds ov TiAl -.117857318089E+02 0 870 TiAl .276665390336E+01 0 881 TiAl .110162865325E+01 0 895 dds exp ov Ti TiAl .232062049664E+01 0 902 Ti ddp ov TiAl -.978748186082E+00 0 913 TiAl -.201528730972E+00 0 924 TiAl .994296877135E+00 0 936 ddp exp ov Ti TiAl .846312010163E+02 0 945 Ti ddd ov TiAl .300438472174E+02 0 956 TiAl .135390223662E+02 0 967 TiAl .144907483876E+01 0 977 ddd exp ov Ti TiAl