Running DMFT2 in mpi mode Modus: TOT no read error RECPR LIST: NOFI -------------------------------------------------- S T R U C T U R A L I N F O R M A T I O N -------------------------------------------------- SUBSTANCE = BaFeAs122_NM LATTICE = B LATTICE CONSTANTS ARE = 7.4880430 7.4880430 24.5981970 NUMBER OF ATOMS IN UNITCELL = 3 MODE OF CALCULATION IS = RELA TYPE OF COORDINATES IN DSPLIT= generate new recprlist KXMAX,KYMAX,KZMAX 23 23 23 1511 PLANE WAVES GENERATED (INCLUDING FORBIDDEN H,K,L) nwav1,kn 11111 1511 KVEC( 1) = 0 0 0 0.0000 1 KVEC( 2) = 0 0 -2 0.5109 2 KVEC( 3) = 0 -1 -1 0.8771 8 KVEC( 4) = 0 0 -4 1.0217 2 KVEC( 5) = 0 -1 -3 1.1364 8 KVEC( 6) = 1 -1 0 1.1867 4 KVEC( 7) = 1 -1 -2 1.2920 8 KVEC( 8) = 0 -1 -5 1.5281 8 KVEC( 9) = 0 0 -6 1.5326 2 KVEC( 10) = 1 -1 -4 1.5659 8 KVEC( 11) = 0 -2 0 1.6782 4 KVEC( 12) = 0 -2 -2 1.7542 8 KVEC( 13) = 1 -2 -1 1.8936 16 KVEC( 14) = 1 -1 -6 1.9383 8 KVEC( 15) = 0 -2 -4 1.9648 8 KVEC( 16) = 0 -1 -7 1.9751 8 KVEC( 17) = 1 -2 -3 2.0267 16 KVEC( 18) = 0 0 -8 2.0435 2 KVEC( 19) = 1 -2 -5 2.2697 16 KVEC( 20) = 0 -2 -6 2.2727 8 KVEC( 21) = 1 -1 -8 2.3630 8 KVEC( 22) = 2 -2 0 2.3733 4 KVEC( 23) = 2 -2 -2 2.4277 8 KVEC( 24) = 0 -1 -9 2.4472 8 KVEC( 25) = 0 -3 -1 2.5302 8 KVEC( 26) = 0 0 -10 2.5543 2 KVEC( 27) = 2 -2 -4 2.5839 8 KVEC( 28) = 1 -2 -7 2.5918 16 KVEC( 29) = 0 -3 -3 2.6313 8 KVEC( 30) = 0 -2 -8 2.6443 8 KVEC( 31) = 1 -3 0 2.6535 8 KVEC( 32) = 1 -3 -2 2.7022 16 KVEC( 33) = 1 -1 -10 2.8165 8 KVEC( 34) = 0 -3 -5 2.8227 8 KVEC( 35) = 2 -2 -6 2.8252 8 KVEC( 36) = 1 -3 -4 2.8434 16 KVEC( 37) = 0 -1 -11 2.9324 8 KVEC( 38) = 1 -2 -9 2.9674 16 KVEC( 39) = 2 -3 -1 3.0362 16 KVEC( 40) = 0 -2 -10 3.0563 8 KVEC( 41) = 1 -3 -6 3.0643 16 KVEC( 42) = 0 0 -12 3.0652 2 KVEC( 43) = 0 -3 -7 3.0877 8 KVEC( 44) = 2 -3 -3 3.1209 16 KVEC( 45) = 2 -2 -8 3.1318 8 KVEC( 46) = 2 -3 -5 3.2839 16 KVEC( 47) = 1 -1 -12 3.2869 8 KVEC( 48) = 1 -3 -8 3.3491 16 KVEC( 49) = 0 -4 0 3.3564 4 KVEC( 50) = 1 -2 -11 3.3786 16 KVEC( 51) = 0 -4 -2 3.3950 8 KVEC( 52) = 0 -3 -9 3.4091 8 KVEC( 53) = 0 -1 -13 3.4250 8 KVEC( 54) = 1 -4 -1 3.4691 16 KVEC( 55) = 2 -2 -10 3.4867 8 KVEC( 56) = 0 -2 -12 3.4945 8 KVEC( 57) = 0 -4 -4 3.5085 8 KVEC( 58) = 2 -3 -7 3.5143 16 KVEC( 59) = 1 -4 -3 3.5435 16 KVEC( 60) = 3 -3 0 3.5600 4 KVEC( 61) = 0 0 -14 3.5761 2 KVEC( 62) = 3 -3 -2 3.5965 8 KVEC( 63) = 1 -3 -10 3.6831 16 KVEC( 64) = 1 -4 -5 3.6879 16 KVEC( 65) = 0 -4 -6 3.6897 8 KVEC( 66) = 3 -3 -4 3.7037 8 KVEC( 67) = 2 -4 0 3.7526 8 KVEC( 68) = 1 -1 -14 3.7678 8 KVEC( 69) = 0 -3 -11 3.7725 8 KVEC( 70) = 2 -4 -2 3.7872 16 KVEC( 71) = 2 -3 -9 3.7997 16 KVEC( 72) = 1 -2 -13 3.8140 16 KVEC( 73) = 3 -3 -6 3.8759 8 KVEC( 74) = 2 -2 -12 3.8766 8 KVEC( 75) = 2 -4 -4 3.8892 16 KVEC( 76) = 1 -4 -7 3.8944 16 KVEC( 77) = 0 -1 -15 3.9223 8 KVEC( 78) = 0 -4 -8 3.9295 8 KVEC( 79) = 0 -2 -14 3.9503 8 KVEC( 80) = 2 -4 -6 4.0535 16 KVEC( 81) = 1 -3 -12 4.0542 16 KVEC( 82) = 0 0 -16 4.0869 2 KVEC( 83) = 3 -3 -8 4.1048 8 KVEC( 84) = 2 -3 -11 4.1289 16 KVEC( 85) = 1 -4 -9 4.1538 16 KVEC( 86) = 0 -3 -13 4.1669 8 KVEC( 87) = 3 -4 -1 4.2032 16 KVEC( 88) = 0 -5 -1 4.2032 8 KVEC( 89) = 0 -4 -10 4.2178 8 KVEC( 90) = 1 -1 -16 4.2557 8 KVEC( 91) = 3 -4 -3 4.2649 16 KVEC( 92) = 0 -5 -3 4.2649 8 KVEC( 93) = 1 -2 -15 4.2662 16 KVEC( 94) = 2 -4 -8 4.2729 16 KVEC( 95) = 1 -5 0 4.2786 8 KVEC( 96) = 2 -2 -14 4.2920 8 KVEC( 97) = 1 -5 -2 4.3090 16 KVEC( 98) = 3 -3 -10 4.3816 8 KVEC( 99) = 3 -4 -5 4.3856 16 KVEC( 100) = 0 -5 -5 4.3856 8 KVEC( 101) = 1 -5 -4 4.3989 16 KVEC( 102) = 0 -2 -16 4.4181 8 KVEC( 103) = 0 -1 -17 4.4227 8 KVEC( 104) = 1 -3 -14 4.4530 16 KVEC( 105) = 1 -4 -11 4.4569 16 KVEC( 106) = 2 -3 -13 4.4922 16 KVEC( 107) = 2 -5 -1 4.5259 16 KVEC( 108) = 2 -4 -10 4.5394 16 KVEC( 109) = 1 -5 -6 4.5448 16 KVEC( 110) = 0 -4 -12 4.5454 8 KVEC( 111) = 3 -4 -7 4.5606 16 KVEC( 112) = 0 -5 -7 4.5606 8 KVEC( 113) = 2 -5 -3 4.5832 16 KVEC( 114) = 0 -3 -15 4.5844 8 KVEC( 115) = 0 0 -18 4.5978 2 KVEC( 116) = 2 -5 -5 4.6957 16 KVEC( 117) = 3 -3 -12 4.6978 8 KVEC( 118) = 2 -2 -16 4.7261 8 KVEC( 119) = 1 -2 -17 4.7304 16 KVEC( 120) = 1 -5 -8 4.7415 16 KVEC( 121) = 4 -4 0 4.7466 4 KVEC( 122) = 1 -1 -18 4.7485 8 KVEC( 123) = 4 -4 -2 4.7741 8 KVEC( 124) = 3 -4 -9 4.7840 16 KVEC( 125) = 0 -5 -9 4.7840 8 KVEC( 126) = 1 -4 -13 4.7954 16 KVEC( 127) = 2 -4 -12 4.8453 16 KVEC( 128) = 4 -4 -4 4.8554 8 KVEC( 129) = 2 -5 -7 4.8596 16 KVEC( 130) = 1 -3 -16 4.8728 16 KVEC( 131) = 2 -3 -15 4.8819 16 KVEC( 132) = 3 -5 0 4.8927 8 KVEC( 133) = 0 -2 -18 4.8945 8 KVEC( 134) = 0 -4 -14 4.9044 8 KVEC( 135) = 3 -5 -2 4.9193 16 KVEC( 136) = 0 -1 -19 4.9252 8 KVEC( 137) = 1 -5 -10 4.9830 16 KVEC( 138) = 4 -4 -6 4.9879 8 KVEC( 139) = 3 -5 -4 4.9983 16 KVEC( 140) = 0 -3 -17 5.0192 8 KVEC( 141) = 0 -6 0 5.0346 4 KVEC( 142) = 3 -3 -14 5.0460 8 KVEC( 143) = 3 -4 -11 5.0494 16 KVEC( 144) = 0 -5 -11 5.0494 8 KVEC( 145) = 0 -6 -2 5.0604 8 KVEC( 146) = 2 -5 -9 5.0698 16 KVEC( 147) = 0 0 -20 5.1087 2 KVEC( 148) = 1 -6 -1 5.1104 16 KVEC( 149) = 3 -5 -6 5.1271 16 KVEC( 150) = 0 -6 -4 5.1372 8 KVEC( 151) = 1 -6 -3 5.1612 16 KVEC( 152) = 1 -4 -15 5.1623 16 KVEC( 153) = 4 -4 -8 5.1678 8 KVEC( 154) = 2 -2 -18 5.1742 8 KVEC( 155) = 2 -4 -14 5.1836 16 KVEC( 156) = 1 -2 -19 5.2033 16 KVEC( 157) = 1 -1 -20 5.2447 8 KVEC( 158) = 1 -6 -5 5.2614 16 KVEC( 159) = 0 -6 -6 5.2627 8 KVEC( 160) = 1 -5 -12 5.2632 16 KVEC( 161) = 0 -4 -16 5.2885 8 KVEC( 162) = 2 -3 -17 5.2924 16 KVEC( 163) = 3 -5 -8 5.3023 16 KVEC( 164) = 2 -6 0 5.3069 8 KVEC( 165) = 1 -3 -18 5.3085 16 KVEC( 166) = 2 -5 -11 5.3210 16 KVEC( 167) = 2 -6 -2 5.3314 16 KVEC( 168) = 3 -4 -13 5.3506 16 KVEC( 169) = 0 -5 -13 5.3506 8 KVEC( 170) = 0 -2 -20 5.3772 8 KVEC( 171) = 4 -5 -1 5.3789 16 KVEC( 172) = 4 -4 -10 5.3903 8 KVEC( 173) = 2 -6 -4 5.4044 16 KVEC( 174) = 1 -6 -7 5.4081 16 KVEC( 175) = 3 -3 -16 5.4200 8 KVEC( 176) = 4 -5 -3 5.4272 16 KVEC( 177) = 0 -1 -21 5.4293 8 KVEC( 178) = 0 -6 -8 5.4335 8 KVEC( 179) = 0 -3 -19 5.4672 8 KVEC( 180) = 3 -5 -10 5.5194 16 KVEC( 181) = 4 -5 -5 5.5225 16 KVEC( 182) = 2 -6 -6 5.5238 16 KVEC( 183) = 2 -4 -16 5.5484 16 KVEC( 184) = 1 -4 -17 5.5521 16 KVEC( 185) = 1 -5 -14 5.5762 16 KVEC( 186) = 1 -6 -9 5.5979 16 KVEC( 187) = 2 -5 -13 5.6076 16 KVEC( 188) = 0 0 -22 5.6195 2 KVEC( 189) = 2 -2 -20 5.6330 8 KVEC( 190) = 3 -6 -1 5.6346 16 KVEC( 191) = 0 -6 -10 5.6455 8 KVEC( 192) = 4 -4 -12 5.6503 8 KVEC( 193) = 4 -5 -7 5.6625 16 KVEC( 194) = 3 -6 -3 5.6807 16 KVEC( 195) = 3 -4 -15 5.6818 16 KVEC( 196) = 0 -5 -15 5.6818 8 KVEC( 197) = 1 -2 -21 5.6828 16 KVEC( 198) = 2 -6 -8 5.6867 16 KVEC( 199) = 0 -4 -18 5.6925 8 KVEC( 200) = 2 -3 -19 5.7190 16 KVEC( 201) = 1 -1 -22 5.7434 8 KVEC( 202) = 1 -3 -20 5.7567 16 KVEC( 203) = 3 -6 -5 5.7719 16 KVEC( 204) = 3 -5 -12 5.7736 16 KVEC( 205) = 3 -3 -18 5.8149 8 KVEC( 206) = 1 -6 -11 5.8263 16 KVEC( 207) = 4 -5 -9 5.8440 16 KVEC( 208) = 0 -2 -22 5.8648 8 KVEC( 209) = 0 -7 -1 5.8792 8 KVEC( 210) = 2 -6 -10 5.8896 16 KVEC( 211) = 0 -6 -12 5.8943 8 KVEC( 212) = 3 -6 -7 5.9060 16 KVEC( 213) = 1 -5 -16 5.9168 16 KVEC( 214) = 0 -7 -3 5.9234 8 KVEC( 215) = 2 -5 -15 5.9244 16 KVEC( 216) = 0 -3 -21 5.9254 8 KVEC( 217) = 5 -5 0 5.9333 4 KVEC( 218) = 1 -7 0 5.9333 8 KVEC( 219) = 0 -1 -23 5.9346 8 KVEC( 220) = 2 -4 -18 5.9348 16 KVEC( 221) = 4 -4 -14 5.9430 8 KVEC( 222) = 5 -5 -2 5.9553 8 KVEC( 223) = 1 -7 -2 5.9553 16 KVEC( 224) = 1 -4 -19 5.9601 16 KVEC( 225) = 0 -7 -5 6.0109 8 KVEC( 226) = 5 -5 -4 6.0206 8 KVEC( 227) = 1 -7 -4 6.0206 16 KVEC( 228) = 3 -4 -17 6.0381 16 KVEC( 229) = 0 -5 -17 6.0381 8 KVEC( 230) = 4 -6 0 6.0508 8 KVEC( 231) = 3 -5 -14 6.0603 16 KVEC( 232) = 4 -5 -11 6.0632 16 KVEC( 233) = 4 -6 -2 6.0723 16 KVEC( 234) = 3 -6 -9 6.0802 16 KVEC( 235) = 1 -6 -13 6.0891 16 KVEC( 236) = 2 -2 -22 6.1001 8 KVEC( 237) = 0 -4 -20 6.1126 8 KVEC( 238) = 2 -7 -1 6.1140 16 KVEC( 239) = 5 -5 -6 6.1280 8 KVEC( 240) = 1 -7 -6 6.1280 16 KVEC( 241) = 2 -6 -12 6.1285 16 KVEC( 242) = 0 0 -24 6.1304 2 KVEC( 243) = 4 -6 -4 6.1365 16 KVEC( 244) = 0 -7 -7 6.1398 8 KVEC( 245) = 2 -7 -3 6.1566 16 KVEC( 246) = 2 -3 -21 6.1584 16 KVEC( 247) = 1 -2 -23 6.1673 16 KVEC( 248) = 0 -6 -14 6.1754 8 KVEC( 249) = 1 -3 -22 6.2145 16 KVEC( 250) = 3 -3 -20 6.2267 8 KVEC( 251) = 2 -7 -5 6.2408 16 KVEC( 252) = 4 -6 -6 6.2419 16 KVEC( 253) = 1 -1 -24 6.2442 8 KVEC( 254) = 4 -4 -16 6.2637 8 KVEC( 255) = 2 -5 -17 6.2669 16 KVEC( 256) = 5 -5 -8 6.2753 8 KVEC( 257) = 1 -7 -8 6.2753 16 KVEC( 258) = 1 -5 -18 6.2806 16 KVEC( 259) = 3 -6 -11 6.2911 16 KVEC( 260) = 0 -7 -9 6.3075 8 KVEC( 261) = 4 -5 -13 6.3162 16 KVEC( 262) = 2 -4 -20 6.3388 16 KVEC( 263) = 0 -2 -24 6.3559 8 KVEC( 264) = 2 -7 -7 6.3650 16 KVEC( 265) = 3 -5 -16 6.3751 16 KVEC( 266) = 1 -6 -15 6.3821 16 KVEC( 267) = 1 -4 -21 6.3830 16 KVEC( 268) = 4 -6 -8 6.3865 16 KVEC( 269) = 3 -7 0 6.3904 8 KVEC( 270) = 0 -3 -23 6.3915 8 KVEC( 271) = 2 -6 -14 6.3993 16 KVEC( 272) = 3 -7 -2 6.4108 16 KVEC( 273) = 3 -4 -19 6.4153 16 KVEC( 274) = 0 -5 -19 6.4153 8 KVEC( 275) = 0 -1 -25 6.4407 8 KVEC( 276) = 5 -5 -10 6.4598 8 KVEC( 277) = 1 -7 -10 6.4598 16 KVEC( 278) = 3 -7 -4 6.4715 16 KVEC( 279) = 0 -6 -16 6.4846 8 KVEC( 280) = 0 -7 -11 6.5111 8 KVEC( 281) = 2 -7 -9 6.5270 16 KVEC( 282) = 3 -6 -13 6.5353 16 KVEC( 283) = 0 -4 -22 6.5456 8 KVEC( 284) = 5 -6 -1 6.5585 16 KVEC( 285) = 4 -6 -10 6.5679 16 KVEC( 286) = 3 -7 -6 6.5716 16 KVEC( 287) = 2 -2 -24 6.5738 8 KVEC( 288) = 5 -6 -3 6.5982 16 KVEC( 289) = 4 -5 -15 6.5991 16 KVEC( 290) = 2 -3 -23 6.6082 16 KVEC( 291) = 4 -4 -18 6.6083 8 KVEC( 292) = 2 -5 -19 6.6311 16 KVEC( 293) = 0 0 -26 6.6413 2 KVEC( 294) = 3 -3 -22 6.6523 8 KVEC( 295) = 1 -2 -25 6.6558 16 KVEC( 296) = 1 -5 -20 6.6637 16 KVEC( 297) = 5 -6 -5 6.6768 16 KVEC( 298) = 5 -5 -12 6.6783 8 KVEC( 299) = 1 -7 -12 6.6783 16 KVEC( 300) = 1 -3 -24 6.6800 16 KVEC( 301) = 2 -6 -16 6.6982 16 KVEC( 302) = 1 -6 -17 6.7013 16 KVEC( 303) = 3 -7 -8 6.7091 16 KVEC( 304) = 0 -8 0 6.7128 4 KVEC( 305) = 3 -5 -18 6.7140 16 KVEC( 306) = 2 -7 -11 6.7239 16 KVEC( 307) = 0 -8 -2 6.7322 8 KVEC( 308) = 1 -1 -26 6.7464 8 KVEC( 309) = 0 -7 -13 6.7473 8 KVEC( 310) = 2 -4 -22 6.7573 16 KVEC( 311) = 4 -7 -1 6.7698 16 KVEC( 312) = 1 -8 -1 6.7698 16 KVEC( 313) = 4 -6 -12 6.7829 16 KVEC( 314) = 0 -8 -4 6.7901 8 KVEC( 315) = 5 -6 -7 6.7931 16 KVEC( 316) = 4 -7 -3 6.8083 16 KVEC( 317) = 1 -8 -3 6.8083 16 KVEC( 318) = 3 -6 -15 6.8091 16 KVEC( 319) = 3 -4 -21 6.8100 16 KVEC( 320) = 0 -5 -21 6.8100 8 KVEC( 321) = 1 -4 -23 6.8180 16 KVEC( 322) = 0 -6 -18 6.8181 8 KVEC( 323) = 0 -2 -26 6.8500 8 KVEC( 324) = 0 -3 -25 6.8641 8 KVEC( 325) = 3 -7 -10 6.8820 16 KVEC( 326) = 4 -7 -5 6.8845 16 KVEC( 327) = 1 -8 -5 6.8845 16 KVEC( 328) = 0 -8 -6 6.8855 8 KVEC( 329) = 4 -5 -17 6.9082 16 KVEC( 330) = 2 -8 0 6.9194 8 KVEC( 331) = 5 -5 -14 6.9276 8 KVEC( 332) = 1 -7 -14 6.9276 16 KVEC( 333) = 2 -8 -2 6.9382 16 KVEC( 334) = 5 -6 -9 6.9451 16 KVEC( 335) = 0 -1 -27 6.9475 8 KVEC( 336) = 2 -7 -13 6.9529 16 KVEC( 337) = 4 -4 -20 6.9734 8 KVEC( 338) = 0 -4 -24 6.9891 8 KVEC( 339) = 2 -8 -4 6.9944 16 KVEC( 340) = 4 -7 -7 6.9973 16 KVEC( 341) = 1 -8 -7 6.9973 16 KVEC( 342) = 0 -7 -15 7.0129 8 KVEC( 343) = 2 -5 -21 7.0137 16 KVEC( 344) = 0 -8 -8 7.0169 8 KVEC( 345) = 2 -6 -18 7.0216 16 KVEC( 346) = 4 -6 -14 7.0285 16 KVEC( 347) = 1 -6 -19 7.0431 16 KVEC( 348) = 2 -2 -26 7.0526 8 KVEC( 349) = 1 -5 -22 7.0629 16 KVEC( 350) = 2 -3 -25 7.0662 16 KVEC( 351) = 3 -5 -20 7.0737 16 KVEC( 352) = 2 -8 -6 7.0871 16 KVEC( 353) = 3 -7 -12 7.0875 16 KVEC( 354) = 3 -3 -24 7.0891 8 KVEC( 355) = 3 -6 -17 7.1091 16 KVEC( 356) = 6 -6 0 7.1200 4 KVEC( 357) = 5 -6 -11 7.1305 16 KVEC( 358) = 6 -6 -2 7.1383 8 KVEC( 359) = 4 -7 -9 7.1449 16 KVEC( 360) = 1 -8 -9 7.1449 16 KVEC( 361) = 1 -2 -27 7.1474 16 KVEC( 362) = 1 -3 -26 7.1517 16 KVEC( 363) = 0 0 -28 7.1521 2 KVEC( 364) = 0 -6 -20 7.1725 8 KVEC( 365) = 3 -8 -1 7.1738 16 KVEC( 366) = 0 -8 -10 7.1823 8 KVEC( 367) = 2 -4 -24 7.1877 16 KVEC( 368) = 6 -6 -4 7.1929 8 KVEC( 369) = 5 -5 -16 7.2047 8 KVEC( 370) = 1 -7 -16 7.2047 16 KVEC( 371) = 3 -8 -3 7.2101 16 KVEC( 372) = 2 -7 -15 7.2109 16 KVEC( 373) = 2 -8 -8 7.2148 16 KVEC( 374) = 5 -7 0 7.2182 8 KVEC( 375) = 3 -4 -23 7.2192 16 KVEC( 376) = 0 -5 -23 7.2192 8 KVEC( 377) = 5 -7 -2 7.2362 16 KVEC( 378) = 4 -5 -19 7.2402 16 KVEC( 379) = 1 -1 -28 7.2499 8 KVEC( 380) = 1 -4 -25 7.2628 16 KVEC( 381) = 3 -8 -5 7.2821 16 KVEC( 382) = 6 -6 -6 7.2830 8 KVEC( 383) = 5 -7 -4 7.2901 16 KVEC( 384) = 4 -6 -16 7.3017 16 KVEC( 385) = 0 -7 -17 7.3045 8 KVEC( 386) = 3 -7 -14 7.3229 16 KVEC( 387) = 4 -7 -11 7.3253 16 KVEC( 388) = 1 -8 -11 7.3253 16 KVEC( 389) = 0 -3 -27 7.3417 8 KVEC( 390) = 0 -2 -28 7.3464 8 KVEC( 391) = 5 -6 -13 7.3468 16 KVEC( 392) = 4 -4 -22 7.3559 8 KVEC( 393) = 2 -6 -20 7.3662 16 KVEC( 394) = 2 -8 -10 7.3758 16 KVEC( 395) = 5 -7 -6 7.3791 16 KVEC( 396) = 0 -8 -12 7.3795 8 KVEC( 397) = 3 -8 -7 7.3888 16 KVEC( 398) = 1 -6 -21 7.4044 16 KVEC( 399) = 6 -6 -8 7.4074 8 KVEC( 400) = 2 -5 -23 7.4117 16 KVEC( 401) = 3 -6 -19 7.4322 16 KVEC( 402) = 0 -4 -26 7.4412 8 KVEC( 403) = 3 -5 -22 7.4510 16 KVEC( 404) = 0 -1 -29 7.4549 8 KVEC( 405) = 1 -5 -24 7.4758 16 KVEC( 406) = 2 -7 -17 7.4948 16 KVEC( 407) = 5 -7 -8 7.5019 16 KVEC( 408) = 4 -8 0 7.5051 8 KVEC( 409) = 5 -5 -18 7.5062 8 KVEC( 410) = 1 -7 -18 7.5062 16 KVEC( 411) = 4 -8 -2 7.5225 16 KVEC( 412) = 3 -8 -9 7.5288 16 KVEC( 413) = 2 -3 -27 7.5311 16 KVEC( 414) = 3 -3 -26 7.5352 8 KVEC( 415) = 2 -2 -28 7.5356 8 KVEC( 416) = 4 -7 -13 7.5360 16 KVEC( 417) = 1 -8 -13 7.5360 16 KVEC( 418) = 0 -6 -22 7.5449 8 KVEC( 419) = 0 -9 -1 7.5562 8 KVEC( 420) = 6 -6 -10 7.5643 8 KVEC( 421) = 2 -8 -12 7.5679 16 KVEC( 422) = 4 -8 -4 7.5743 16 KVEC( 423) = 3 -7 -16 7.5855 16 KVEC( 424) = 0 -9 -3 7.5906 8 KVEC( 425) = 5 -6 -15 7.5914 16 KVEC( 426) = 4 -5 -21 7.5922 16 KVEC( 427) = 1 -9 0 7.5983 8 KVEC( 428) = 4 -6 -18 7.5995 16 KVEC( 429) = 0 -8 -14 7.6059 8 KVEC( 430) = 1 -9 -2 7.6155 16 KVEC( 431) = 0 -7 -19 7.6193 8 KVEC( 432) = 2 -4 -26 7.6281 16 KVEC( 433) = 1 -3 -28 7.6285 16 KVEC( 434) = 3 -4 -25 7.6407 16 KVEC( 435) = 0 -5 -25 7.6407 8 KVEC( 436) = 1 -2 -29 7.6415 16 KVEC( 437) = 5 -7 -10 7.6568 16 KVEC( 438) = 0 -9 -5 7.6591 8 KVEC( 439) = 4 -8 -6 7.6600 16 KVEC( 440) = 0 0 -30 7.6630 2 KVEC( 441) = 1 -9 -4 7.6667 16 KVEC( 442) = 3 -8 -11 7.7002 16 KVEC( 443) = 1 -4 -27 7.7158 16 KVEC( 444) = 2 -6 -22 7.7293 16 KVEC( 445) = 6 -7 -1 7.7403 16 KVEC( 446) = 2 -9 -1 7.7403 16 KVEC( 447) = 1 -9 -6 7.7514 16 KVEC( 448) = 6 -6 -12 7.7517 8 KVEC( 449) = 4 -4 -24 7.7532 8 KVEC( 450) = 1 -1 -30 7.7543 8 KVEC( 451) = 0 -9 -7 7.7606 8 KVEC( 452) = 6 -7 -3 7.7739 16 KVEC( 453) = 2 -9 -3 7.7739 16 KVEC( 454) = 4 -7 -15 7.7747 16 KVEC( 455) = 1 -8 -15 7.7747 16 KVEC( 456) = 3 -6 -21 7.7754 16 KVEC( 457) = 4 -8 -8 7.7783 16 KVEC( 458) = 1 -6 -23 7.7824 16 KVEC( 459) = 2 -8 -14 7.7888 16 KVEC( 460) = 2 -7 -19 7.8019 16 KVEC( 461) = 2 -5 -25 7.8229 16 KVEC( 462) = 0 -3 -29 7.8236 8 KVEC( 463) = 5 -5 -20 7.8296 8 KVEC( 464) = 1 -7 -20 7.8296 16 KVEC( 465) = 6 -7 -5 7.8408 16 KVEC( 466) = 2 -9 -5 7.8408 16 KVEC( 467) = 5 -7 -12 7.8420 16 KVEC( 468) = 3 -5 -24 7.8435 16 KVEC( 469) = 0 -2 -30 7.8446 8 KVEC( 470) = 0 -8 -16 7.8590 8 KVEC( 471) = 5 -6 -17 7.8616 16 KVEC( 472) = 1 -9 -8 7.8683 16 KVEC( 473) = 3 -7 -18 7.8725 16 KVEC( 474) = 0 -9 -9 7.8940 8 KVEC( 475) = 1 -5 -26 7.9001 16 KVEC( 476) = 0 -4 -28 7.9005 8 KVEC( 477) = 3 -8 -13 7.9009 16 KVEC( 478) = 4 -6 -20 7.9190 16 KVEC( 479) = 5 -8 -1 7.9201 16 KVEC( 480) = 4 -8 -10 7.9279 16 KVEC( 481) = 0 -6 -24 7.9328 8 KVEC( 482) = 6 -7 -7 7.9400 16 KVEC( 483) = 2 -9 -7 7.9400 16 KVEC( 484) = 5 -8 -3 7.9530 16 KVEC( 485) = 0 -7 -21 7.9545 8 KVEC( 486) = 3 -9 0 7.9604 8 KVEC( 487) = 4 -5 -23 7.9613 16 KVEC( 488) = 0 -1 -31 7.9627 8 KVEC( 489) = 6 -6 -14 7.9676 8 KVEC( 490) = 3 -9 -2 7.9767 16 KVEC( 491) = 3 -3 -28 7.9891 8 KVEC( 492) = 2 -3 -29 8.0016 16 KVEC( 493) = 1 -9 -10 8.0162 16 KVEC( 494) = 5 -8 -5 8.0184 16 KVEC( 495) = 2 -2 -30 8.0221 8 KVEC( 496) = 3 -9 -4 8.0257 16 KVEC( 497) = 2 -8 -16 8.0362 16 KVEC( 498) = 4 -7 -17 8.0387 16 KVEC( 499) = 1 -8 -17 8.0387 16 KVEC( 500) = 5 -7 -14 8.0554 16 KVEC( 501) = 0 -9 -11 8.0576 8 KVEC( 502) = 6 -7 -9 8.0704 16 KVEC( 503) = 2 -9 -9 8.0704 16 KVEC( 504) = 3 -4 -27 8.0726 16 KVEC( 505) = 0 -5 -27 8.0726 8 KVEC( 506) = 2 -4 -28 8.0768 16 KVEC( 507) = 3 -9 -6 8.1066 16 KVEC( 508) = 4 -8 -12 8.1069 16 KVEC( 509) = 2 -6 -24 8.1083 16 KVEC( 510) = 1 -3 -30 8.1094 16 KVEC( 511) = 5 -8 -7 8.1154 16 KVEC( 512) = 3 -8 -15 8.1289 16 KVEC( 513) = 2 -7 -21 8.1296 16 KVEC( 514) = 3 -6 -23 8.1363 16 KVEC( 515) = 0 -8 -18 8.1364 8 KVEC( 516) = 1 -2 -31 8.1377 16 KVEC( 517) = 5 -6 -19 8.1549 16 KVEC( 518) = 4 -4 -26 8.1631 8 KVEC( 519) = 5 -5 -22 8.1721 8 KVEC( 520) = 1 -7 -22 8.1721 16 KVEC( 521) = 0 0 -32 8.1738 2 KVEC( 522) = 1 -6 -25 8.1749 16 KVEC( 523) = 1 -4 -29 8.1756 16 KVEC( 524) = 3 -7 -20 8.1814 16 KVEC( 525) = 1 -9 -12 8.1933 16 KVEC( 526) = 6 -6 -16 8.2096 8 KVEC( 527) = 3 -9 -8 8.2185 16 KVEC( 528) = 6 -7 -11 8.2305 16 KVEC( 529) = 2 -9 -11 8.2305 16 KVEC( 530) = 5 -8 -9 8.2431 16 KVEC( 531) = 2 -5 -27 8.2452 16 KVEC( 532) = 3 -5 -26 8.2489 16 KVEC( 533) = 0 -9 -13 8.2497 8 KVEC( 534) = 4 -6 -22 8.2578 16 KVEC( 535) = 1 -1 -32 8.2595 8 KVEC( 536) = 4 -9 -1 8.2681 16 KVEC( 537) = 5 -7 -16 8.2949 16 KVEC( 538) = 4 -9 -3 8.2996 16 KVEC( 539) = 7 -7 0 8.3066 4 KVEC( 540) = 0 -7 -23 8.3075 8 KVEC( 541) = 2 -8 -18 8.3077 16 KVEC( 542) = 0 -3 -31 8.3089 8 KVEC( 543) = 4 -8 -14 8.3135 16 KVEC( 544) = 7 -7 -2 8.3223 8 KVEC( 545) = 4 -7 -19 8.3258 16 KVEC( 546) = 1 -8 -19 8.3258 16 KVEC( 547) = 0 -6 -26 8.3339 8 KVEC( 548) = 1 -5 -28 8.3342 16 KVEC( 549) = 0 -2 -32 8.3443 8 KVEC( 550) = 4 -5 -25 8.3454 16 KVEC( 551) = 3 -9 -10 8.3601 16 KVEC( 552) = 4 -9 -5 8.3622 16 KVEC( 553) = 0 -4 -30 8.3658 8 KVEC( 554) = 7 -7 -4 8.3692 8 KVEC( 555) = 3 -8 -17 8.3818 16 KVEC( 556) = 6 -8 0 8.3910 8 KVEC( 557) = 0 -10 0 8.3910 4 KVEC( 558) = 1 -9 -14 8.3978 16 KVEC( 559) = 5 -8 -11 8.3999 16 KVEC( 560) = 6 -8 -2 8.4065 16 KVEC( 561) = 0 -10 -2 8.4065 8 KVEC( 562) = 6 -7 -13 8.4186 16 KVEC( 563) = 2 -9 -13 8.4186 16 KVEC( 564) = 0 -8 -20 8.4356 8 KVEC( 565) = 1 -10 -1 8.4367 16 KVEC( 566) = 7 -7 -6 8.4468 8 KVEC( 567) = 3 -3 -30 8.4495 8 KVEC( 568) = 6 -8 -4 8.4529 16 KVEC( 569) = 0 -10 -4 8.4529 8 KVEC( 570) = 4 -9 -7 8.4554 16 KVEC( 571) = 1 -10 -3 8.4676 16 KVEC( 572) = 0 -9 -15 8.4682 8 KVEC( 573) = 5 -6 -21 8.4689 16 KVEC( 574) = 0 -1 -33 8.4709 8 KVEC( 575) = 2 -7 -23 8.4753 16 KVEC( 576) = 6 -6 -18 8.4755 8 KVEC( 577) = 2 -3 -31 8.4767 16 KVEC( 578) = 2 -6 -26 8.5011 16 KVEC( 579) = 3 -7 -22 8.5097 16 KVEC( 580) = 2 -2 -32 8.5114 8 KVEC( 581) = 3 -6 -25 8.5125 16 KVEC( 582) = 3 -4 -29 8.5132 16 KVEC( 583) = 0 -5 -29 8.5132 8 KVEC( 584) = 1 -10 -5 8.5290 16 KVEC( 585) = 6 -8 -6 8.5298 16 KVEC( 586) = 0 -10 -6 8.5298 8 KVEC( 587) = 3 -9 -12 8.5301 16 KVEC( 588) = 5 -5 -24 8.5315 8 KVEC( 589) = 1 -7 -24 8.5315 16 KVEC( 590) = 2 -4 -30 8.5325 16 KVEC( 591) = 4 -8 -16 8.5457 16 KVEC( 592) = 7 -7 -8 8.5543 8 KVEC( 593) = 2 -10 0 8.5571 8 KVEC( 594) = 5 -7 -18 8.5581 16 KVEC( 595) = 2 -10 -2 8.5724 16 KVEC( 596) = 4 -9 -9 8.5779 16 KVEC( 597) = 1 -6 -27 8.5799 16 KVEC( 598) = 4 -4 -28 8.5839 8 KVEC( 599) = 5 -8 -13 8.5843 16 KVEC( 600) = 1 -3 -32 8.5938 16 KVEC( 601) = 2 -8 -20 8.6009 16 KVEC( 602) = 4 -6 -24 8.6136 16 KVEC( 603) = 2 -10 -4 8.6179 16 KVEC( 604) = 1 -10 -7 8.6203 16 KVEC( 605) = 1 -9 -16 8.6277 16 KVEC( 606) = 6 -7 -15 8.6329 16 KVEC( 607) = 2 -9 -15 8.6329 16 KVEC( 608) = 4 -7 -21 8.6336 16 KVEC( 609) = 1 -8 -21 8.6336 16 KVEC( 610) = 1 -2 -33 8.6356 16 KVEC( 611) = 6 -8 -8 8.6362 16 KVEC( 612) = 0 -10 -8 8.6362 8 KVEC( 613) = 5 -9 0 8.6390 8 KVEC( 614) = 1 -4 -31 8.6412 16 KVEC( 615) = 5 -9 -2 8.6541 16 KVEC( 616) = 3 -8 -19 8.6575 16 KVEC( 617) = 3 -5 -28 8.6655 16 KVEC( 618) = 0 -7 -25 8.6763 8 KVEC( 619) = 2 -5 -29 8.6770 16 KVEC( 620) = 0 0 -34 8.6847 2 KVEC( 621) = 7 -7 -10 8.6905 8 KVEC( 622) = 2 -10 -6 8.6933 16 KVEC( 623) = 5 -9 -4 8.6992 16 KVEC( 624) = 0 -9 -17 8.7113 8 KVEC( 625) = 3 -9 -14 8.7267 16 KVEC( 626) = 4 -9 -11 8.7287 16 KVEC( 627) = 1 -10 -9 8.7405 16 KVEC( 628) = 4 -5 -27 8.7425 16 KVEC( 629) = 0 -6 -28 8.7464 8 KVEC( 630) = 0 -8 -22 8.7544 8 KVEC( 631) = 6 -6 -20 8.7631 8 KVEC( 632) = 3 -10 -1 8.7641 16 KVEC( 633) = 1 -1 -34 8.7654 8 KVEC( 634) = 6 -8 -10 8.7711 16 KVEC( 635) = 0 -10 -10 8.7711 8 KVEC( 636) = 5 -9 -6 8.7739 16 KVEC( 637) = 1 -5 -30 8.7765 16 KVEC( 638) = 3 -10 -3 8.7939 16 KVEC( 639) = 5 -8 -15 8.7945 16 KVEC( 640) = 0 -3 -33 8.7971 8 KVEC( 641) = 2 -10 -8 8.7977 16 KVEC( 642) = 5 -6 -23 8.8014 16 KVEC( 643) = 4 -8 -18 8.8015 16 KVEC( 644) = 0 -4 -32 8.8361 8 KVEC( 645) = 2 -7 -25 8.8371 16 KVEC( 646) = 5 -7 -20 8.8431 16 KVEC( 647) = 0 -2 -34 8.8454 8 KVEC( 648) = 3 -10 -5 8.8530 16 KVEC( 649) = 7 -7 -12 8.8541 8 KVEC( 650) = 3 -7 -24 8.8554 16 KVEC( 651) = 6 -7 -17 8.8715 16 KVEC( 652) = 2 -9 -17 8.8715 16 KVEC( 653) = 5 -9 -8 8.8774 16 KVEC( 654) = 1 -9 -18 8.8811 16 KVEC( 655) = 1 -10 -11 8.8886 16 KVEC( 656) = 3 -6 -27 8.9021 16 KVEC( 657) = 5 -5 -26 8.9056 8 KVEC( 658) = 1 -7 -26 8.9056 16 KVEC( 659) = 2 -6 -28 8.9060 16 KVEC( 660) = 4 -9 -13 8.9063 16 KVEC( 661) = 2 -8 -22 8.9138 16 KVEC( 662) = 3 -3 -32 8.9155 8 KVEC( 663) = 7 -8 -1 8.9234 16 KVEC( 664) = 2 -10 -10 8.9302 16 KVEC( 665) = 6 -8 -12 8.9333 16 KVEC( 666) = 0 -10 -12 8.9333 8 KVEC( 667) = 3 -10 -7 8.9410 16 KVEC( 668) = 3 -9 -16 8.9482 16 KVEC( 669) = 7 -8 -3 8.9526 16 KVEC( 670) = 3 -8 -21 8.9538 16 KVEC( 671) = 2 -3 -33 8.9558 16 KVEC( 672) = 4 -7 -23 8.9599 16 KVEC( 673) = 1 -8 -23 8.9599 16 KVEC( 674) = 3 -4 -31 8.9612 16 KVEC( 675) = 0 -5 -31 8.9612 8 KVEC( 676) = 0 -9 -19 8.9769 8 KVEC( 677) = 0 -1 -35 8.9794 8 KVEC( 678) = 4 -6 -26 8.9843 16 KVEC( 679) = 2 -4 -32 8.9941 16 KVEC( 680) = 1 -6 -29 8.9957 16 KVEC( 681) = 2 -2 -34 9.0032 8 KVEC( 682) = 5 -9 -10 9.0087 16 KVEC( 683) = 7 -8 -5 9.0107 16 KVEC( 684) = 4 -4 -30 9.0140 8 KVEC( 685) = 5 -8 -17 9.0288 16 KVEC( 686) = 4 -10 0 9.0373 8 KVEC( 687) = 7 -7 -14 9.0437 8 KVEC( 688) = 4 -10 -2 9.0518 16 KVEC( 689) = 3 -10 -9 9.0570 16 KVEC( 690) = 0 -7 -27 9.0589 8 KVEC( 691) = 1 -10 -13 9.0630 16 KVEC( 692) = 6 -6 -22 9.0704 8 KVEC( 693) = 4 -8 -20 9.0788 16 KVEC( 694) = 6 -9 -1 9.0798 16 KVEC( 695) = 1 -3 -34 9.0810 16 KVEC( 696) = 2 -10 -12 9.0895 16 KVEC( 697) = 0 -8 -24 9.0908 8 KVEC( 698) = 3 -5 -30 9.0918 16 KVEC( 699) = 4 -10 -4 9.0949 16 KVEC( 700) = 7 -8 -7 9.0972 16 KVEC( 701) = 6 -9 -3 9.1085 16 KVEC( 702) = 4 -9 -15 9.1091 16 KVEC( 703) = 1 -4 -33 9.1117 16 KVEC( 704) = 2 -5 -31 9.1170 16 KVEC( 705) = 6 -8 -14 9.1212 16 KVEC( 706) = 0 -10 -14 9.1212 8 KVEC( 707) = 6 -7 -19 9.1324 16 KVEC( 708) = 2 -9 -19 9.1324 16 KVEC( 709) = 1 -2 -35 9.1349 16 KVEC( 710) = 5 -7 -22 9.1477 16 KVEC( 711) = 5 -6 -25 9.1503 16 KVEC( 712) = 4 -5 -29 9.1509 16 KVEC( 713) = 1 -9 -20 9.1560 16 KVEC( 714) = 6 -9 -5 9.1656 16 KVEC( 715) = 4 -10 -6 9.1664 16 KVEC( 716) = 5 -9 -12 9.1667 16 KVEC( 717) = 0 -6 -30 9.1689 8 KVEC( 718) = 3 -9 -18 9.1928 16 KVEC( 719) = 0 0 -36 9.1956 2 KVEC( 720) = 3 -10 -11 9.2000 16 KVEC( 721) = 7 -8 -9 9.2112 16 KVEC( 722) = 2 -7 -27 9.2131 16 KVEC( 723) = 3 -7 -26 9.2165 16 KVEC( 724) = 1 -5 -32 9.2259 16 KVEC( 725) = 0 -11 -1 9.2336 8 KVEC( 726) = 2 -8 -24 9.2444 16 KVEC( 727) = 6 -9 -7 9.2507 16 KVEC( 728) = 7 -7 -16 9.2576 8 KVEC( 729) = 0 -11 -3 9.2618 8 KVEC( 730) = 1 -10 -15 9.2624 16 KVEC( 731) = 0 -9 -21 9.2630 8 KVEC( 732) = 4 -10 -8 9.2655 16 KVEC( 733) = 1 -11 0 9.2681 8 KVEC( 734) = 3 -8 -23 9.2689 16 KVEC( 735) = 1 -1 -36 9.2718 8 KVEC( 736) = 2 -10 -14 9.2743 16 KVEC( 737) = 1 -11 -2 9.2822 16 KVEC( 738) = 5 -8 -19 9.2853 16 KVEC( 739) = 0 -3 -35 9.2878 8 KVEC( 740) = 5 -5 -28 9.2928 8 KVEC( 741) = 1 -7 -28 9.2928 16 KVEC( 742) = 4 -7 -25 9.3029 16 KVEC( 743) = 1 -8 -25 9.3029 16 KVEC( 744) = 3 -6 -29 9.3035 16 KVEC( 745) = 0 -4 -34 9.3107 8 KVEC( 746) = 0 -11 -5 9.3180 8 KVEC( 747) = 2 -6 -30 9.3212 16 KVEC( 748) = 1 -11 -4 9.3243 16 KVEC( 749) = 6 -8 -16 9.3333 16 KVEC( 750) = 0 -10 -16 9.3333 8 KVEC( 751) = 4 -9 -17 9.3355 16 KVEC( 752) = 0 -2 -36 9.3475 8 KVEC( 753) = 5 -9 -14 9.3499 16 KVEC( 754) = 7 -8 -11 9.3518 16 KVEC( 755) = 6 -9 -9 9.3628 16 KVEC( 756) = 4 -6 -28 9.3683 16 KVEC( 757) = 3 -10 -13 9.3686 16 KVEC( 758) = 4 -8 -22 9.3758 16 KVEC( 759) = 5 -10 -1 9.3849 16 KVEC( 760) = 2 -11 -1 9.3849 16 KVEC( 761) = 3 -3 -34 9.3860 8 KVEC( 762) = 4 -10 -10 9.3914 16 KVEC( 763) = 1 -11 -6 9.3940 16 KVEC( 764) = 6 -6 -24 9.3955 8 KVEC( 765) = 0 -11 -7 9.4016 8 KVEC( 766) = 5 -10 -3 9.4126 16 KVEC( 767) = 2 -11 -3 9.4126 16 KVEC( 768) = 6 -7 -21 9.4138 16 KVEC( 769) = 2 -9 -21 9.4138 16 KVEC( 770) = 3 -4 -33 9.4157 16 KVEC( 771) = 0 -5 -33 9.4157 8 KVEC( 772) = 1 -6 -31 9.4208 16 KVEC( 773) = 2 -3 -35 9.4382 16 KVEC( 774) = 0 -8 -26 9.4429 8 KVEC( 775) = 1 -9 -22 9.4506 16 KVEC( 776) = 4 -4 -32 9.4521 8 KVEC( 777) = 0 -7 -29 9.4537 8 KVEC( 778) = 3 -9 -20 9.4586 16 KVEC( 779) = 2 -4 -34 9.4608 16 KVEC( 780) = 5 -10 -5 9.4679 16 KVEC( 781) = 2 -11 -5 9.4679 16 KVEC( 782) = 5 -7 -24 9.4701 16 KVEC( 783) = 2 -10 -16 9.4830 16 KVEC( 784) = 1 -10 -17 9.4852 16 KVEC( 785) = 0 -1 -37 9.4882 8 KVEC( 786) = 1 -11 -8 9.4907 16 KVEC( 787) = 8 -8 0 9.4933 4 KVEC( 788) = 7 -7 -18 9.4942 8 KVEC( 789) = 2 -2 -36 9.4969 8 KVEC( 790) = 6 -9 -11 9.5012 16 KVEC( 791) = 8 -8 -2 9.5070 8 KVEC( 792) = 0 -11 -9 9.5120 8 KVEC( 793) = 5 -6 -27 9.5138 16 KVEC( 794) = 7 -8 -13 9.5178 16 KVEC( 795) = 3 -5 -32 9.5263 16 KVEC( 796) = 4 -10 -12 9.5430 16 KVEC( 797) = 8 -8 -4 9.5481 8 KVEC( 798) = 5 -10 -7 9.5502 16 KVEC( 799) = 2 -11 -7 9.5502 16 KVEC( 800) = 5 -9 -16 9.5570 16 KVEC( 801) = 3 -10 -15 9.5617 16 KVEC( 802) = 5 -8 -21 9.5623 16 KVEC( 803) = 2 -5 -33 9.5641 16 KVEC( 804) = 7 -9 0 9.5672 8 KVEC( 805) = 3 -11 0 9.5672 8 KVEC( 806) = 0 -9 -23 9.5680 8 KVEC( 807) = 6 -8 -18 9.5681 16 KVEC( 808) = 0 -10 -18 9.5681 8 KVEC( 809) = 4 -5 -31 9.5692 16 KVEC( 810) = 1 -3 -36 9.5708 16 KVEC( 811) = 7 -9 -2 9.5808 16 KVEC( 812) = 3 -11 -2 9.5808 16 KVEC( 813) = 4 -9 -19 9.5838 16 KVEC( 814) = 1 -4 -35 9.5862 16 KVEC( 815) = 2 -8 -26 9.5908 16 KVEC( 816) = 3 -7 -28 9.5911 16 KVEC( 817) = 0 -6 -32 9.5999 8 KVEC( 818) = 3 -8 -25 9.6009 16 KVEC( 819) = 2 -7 -29 9.6015 16 KVEC( 820) = 1 -11 -10 9.6137 16 KVEC( 821) = 8 -8 -6 9.6162 8 KVEC( 822) = 7 -9 -4 9.6216 16 KVEC( 823) = 3 -11 -4 9.6216 16 KVEC( 824) = 1 -2 -37 9.6355 16 KVEC( 825) = 0 -11 -11 9.6482 8 KVEC( 826) = 5 -10 -9 9.6589 16 KVEC( 827) = 2 -11 -9 9.6589 16 KVEC( 828) = 4 -7 -27 9.6607 16 KVEC( 829) = 1 -8 -27 9.6607 16 KVEC( 830) = 6 -9 -13 9.6646 16 KVEC( 831) = 1 -5 -34 9.6814 16 KVEC( 832) = 7 -9 -6 9.6891 16 KVEC( 833) = 3 -11 -6 9.6891 16 KVEC( 834) = 4 -8 -24 9.6906 16 KVEC( 835) = 5 -5 -30 9.6915 8 KVEC( 836) = 1 -7 -30 9.6915 16 KVEC( 837) = 0 0 -38 9.7064 2 KVEC( 838) = 7 -8 -15 9.7078 16 KVEC( 839) = 8 -8 -8 9.7107 8 KVEC( 840) = 6 -7 -23 9.7140 16 KVEC( 841) = 2 -9 -23 9.7140 16 KVEC( 842) = 2 -10 -18 9.7141 16 KVEC( 843) = 3 -6 -31 9.7152 16 KVEC( 844) = 4 -10 -14 9.7191 16 KVEC( 845) = 1 -10 -19 9.7296 16 KVEC( 846) = 6 -6 -26 9.7365 8 KVEC( 847) = 3 -9 -22 9.7440 16 KVEC( 848) = 2 -6 -32 9.7455 16 KVEC( 849) = 7 -7 -20 9.7518 8 KVEC( 850) = 1 -11 -12 9.7618 16 KVEC( 851) = 1 -9 -24 9.7630 16 KVEC( 852) = 4 -6 -30 9.7639 16 KVEC( 853) = 3 -10 -17 9.7776 16 KVEC( 854) = 1 -1 -38 9.7787 8 KVEC( 855) = 0 -3 -37 9.7805 8 KVEC( 856) = 7 -9 -8 9.7830 16 KVEC( 857) = 3 -11 -8 9.7830 16 KVEC( 858) = 6 -10 0 9.7855 8 KVEC( 859) = 5 -9 -18 9.7863 16 KVEC( 860) = 0 -4 -36 9.7890 8 KVEC( 861) = 5 -10 -11 9.7931 16 KVEC( 862) = 2 -11 -11 9.7931 16 KVEC( 863) = 6 -10 -2 9.7988 16 KVEC( 864) = 5 -7 -26 9.8086 16 KVEC( 865) = 0 -8 -28 9.8089 8 KVEC( 866) = 0 -11 -13 9.8092 8 KVEC( 867) = 6 -8 -20 9.8238 16 KVEC( 868) = 0 -10 -20 9.8238 8 KVEC( 869) = 4 -11 -1 9.8247 16 KVEC( 870) = 8 -8 -10 9.8309 8 KVEC( 871) = 6 -10 -4 9.8387 16 KVEC( 872) = 0 -2 -38 9.8505 8 KVEC( 873) = 4 -11 -3 9.8512 16 KVEC( 874) = 6 -9 -15 9.8518 16 KVEC( 875) = 4 -9 -21 9.8524 16 KVEC( 876) = 1 -6 -33 9.8541 16 KVEC( 877) = 5 -8 -23 9.8579 16 KVEC( 878) = 0 -7 -31 9.8591 8 KVEC( 879) = 3 -3 -36 9.8606 8 KVEC( 880) = 3 -4 -35 9.8756 16 KVEC( 881) = 0 -5 -35 9.8756 8 KVEC( 882) = 0 -9 -25 9.8899 8 KVEC( 883) = 5 -6 -29 9.8904 16 KVEC( 884) = 4 -4 -34 9.8972 8 KVEC( 885) = 7 -9 -10 9.9023 16 KVEC( 886) = 3 -11 -10 9.9023 16 KVEC( 887) = 4 -11 -5 9.9041 16 KVEC( 888) = 6 -10 -6 9.9047 16 KVEC( 889) = 4 -10 -16 9.9185 16 KVEC( 890) = 7 -8 -17 9.9205 16 KVEC( 891) = 2 -3 -37 9.9234 16 KVEC( 892) = 2 -4 -36 9.9318 16 KVEC( 893) = 1 -11 -14 9.9341 16 KVEC( 894) = 3 -8 -27 9.9480 16 KVEC( 895) = 2 -8 -28 9.9514 16 KVEC( 896) = 5 -10 -13 9.9517 16 KVEC( 897) = 2 -11 -13 9.9517 16 KVEC( 898) = 2 -10 -20 9.9661 16 KVEC( 899) = 3 -5 -34 9.9681 16 KVEC( 900) = 8 -8 -12 9.9759 8 KVEC( 901) = 3 -7 -30 9.9779 16 KVEC( 902) = 4 -11 -7 9.9828 16 KVEC( 903) = 2 -2 -38 9.9924 8 KVEC( 904) = 0 -11 -15 9.9937 8 KVEC( 905) = 1 -10 -21 9.9943 16 KVEC( 906) = 4 -5 -33 9.9960 16 KVEC( 907) = 6 -10 -8 9.9965 16 KVEC( 908) = 0 -1 -39 9.9972 8 KVEC( 909) = 2 -7 -31 10.0009 16 KVEC( 910) = 3 -10 -19 10.0149 16 KVEC( 911) = 2 -5 -35 10.0172 16 KVEC( 912) = 4 -8 -26 10.0216 16 KVEC( 913) = 7 -7 -22 10.0289 8 KVEC( 914) = 6 -7 -25 10.0312 16 KVEC( 915) = 2 -9 -25 10.0312 16 KVEC( 916) = 4 -7 -29 10.0318 16 KVEC( 917) = 1 -8 -29 10.0318 16 KVEC( 918) = 5 -9 -20 10.0365 16 KVEC( 919) = 0 -6 -34 10.0385 8 KVEC( 920) = 7 -9 -12 10.0462 16 KVEC( 921) = 3 -11 -12 10.0462 16 KVEC( 922) = 3 -9 -24 10.0473 16 KVEC( 923) = 6 -9 -17 10.0615 16 KVEC( 924) = 1 -3 -38 10.0626 16 KVEC( 925) = 1 -4 -37 10.0643 16 KVEC( 926) = 0 -12 0 10.0691 4 KVEC( 927) = 0 -12 -2 10.0821 8 KVEC( 928) = 4 -11 -9 10.0868 16 KVEC( 929) = 1 -9 -26 10.0916 16 KVEC( 930) = 6 -6 -28 10.0919 8 KVEC( 931) = 6 -8 -22 10.0989 16 KVEC( 932) = 0 -10 -22 10.0989 8 KVEC( 933) = 5 -5 -32 10.1003 8 KVEC( 934) = 1 -7 -32 10.1003 16 KVEC( 935) = 8 -9 -1 10.1073 16 KVEC( 936) = 1 -12 -1 10.1073 16 KVEC( 937) = 6 -10 -10 10.1133 16 KVEC( 938) = 0 -12 -4 10.1209 8 KVEC( 939) = 1 -11 -16 10.1292 16 KVEC( 940) = 8 -9 -3 10.1331 16 KVEC( 941) = 1 -12 -3 10.1331 16 KVEC( 942) = 5 -10 -15 10.1336 16 KVEC( 943) = 2 -11 -15 10.1336 16 KVEC( 944) = 3 -6 -33 10.1359 16 KVEC( 945) = 1 -2 -39 10.1370 16 KVEC( 946) = 5 -11 0 10.1388 8 KVEC( 947) = 4 -9 -23 10.1396 16 KVEC( 948) = 4 -10 -18 10.1397 16 KVEC( 949) = 1 -5 -36 10.1422 16 KVEC( 950) = 8 -8 -14 10.1445 8 KVEC( 951) = 5 -11 -2 10.1517 16 KVEC( 952) = 7 -8 -19 10.1546 16 KVEC( 953) = 5 -7 -28 10.1614 16 KVEC( 954) = 4 -6 -32 10.1698 16 KVEC( 955) = 5 -8 -25 10.1706 16 KVEC( 956) = 2 -6 -34 10.1778 16 KVEC( 957) = 8 -9 -5 10.1844 16 KVEC( 958) = 1 -12 -5 10.1844 16 KVEC( 959) = 0 -12 -6 10.1851 8 KVEC( 960) = 0 -8 -30 10.1874 8 KVEC( 961) = 5 -11 -4 10.1902 16 KVEC( 962) = 0 -11 -17 10.2005 8 KVEC( 963) = 2 -12 0 10.2080 8 KVEC( 964) = 7 -9 -14 10.2137 16 KVEC( 965) = 3 -11 -14 10.2137 16 KVEC( 966) = 4 -11 -11 10.2154 16 KVEC( 967) = 0 0 -40 10.2173 2 KVEC( 968) = 2 -12 -2 10.2208 16 KVEC( 969) = 0 -9 -27 10.2272 8 KVEC( 970) = 2 -10 -22 10.2374 16 KVEC( 971) = 7 -10 -1 10.2457 16 KVEC( 972) = 5 -11 -6 10.2540 16 KVEC( 973) = 6 -10 -12 10.2543 16 KVEC( 974) = 2 -12 -4 10.2590 16 KVEC( 975) = 8 -9 -7 10.2610 16 KVEC( 976) = 1 -12 -7 10.2610 16 KVEC( 977) = 0 -4 -38 10.2704 8 KVEC( 978) = 7 -10 -3 10.2711 16 KVEC( 979) = 3 -10 -21 10.2722 16 KVEC( 980) = 0 -7 -33 10.2739 8 KVEC( 981) = 0 -12 -8 10.2744 8 KVEC( 982) = 0 -3 -39 10.2750 8 KVEC( 983) = 1 -10 -23 10.2775 16 KVEC( 984) = 5 -6 -31 10.2786 16 KVEC( 985) = 1 -1 -40 10.2860 8 KVEC( 986) = 6 -9 -19 10.2923 16 KVEC( 987) = 1 -6 -35 10.2945 16 KVEC( 988) = 5 -9 -22 10.3059 16 KVEC( 989) = 3 -8 -29 10.3087 16 KVEC( 990) = 7 -10 -5 10.3218 16 KVEC( 991) = 2 -12 -6 10.3224 16 KVEC( 992) = 7 -7 -24 10.3238 8 KVEC( 993) = 2 -8 -30 10.3247 16 KVEC( 994) = 8 -8 -16 10.3356 8 KVEC( 995) = 5 -10 -17 10.3376 16 KVEC( 996) = 2 -11 -17 10.3376 16 KVEC( 997) = 3 -3 -38 10.3387 8 KVEC( 998) = 3 -4 -37 10.3404 16 KVEC( 999) = 0 -5 -37 10.3404 8 KVEC( 1000) = 5 -11 -8 10.3427 16 KVEC( 1001) = 1 -11 -18 10.3459 16 KVEC( 1002) = 4 -4 -36 10.3484 8 KVEC( 1003) = 0 -2 -40 10.3542 8 KVEC( 1004) = 8 -9 -9 10.3623 16 KVEC( 1005) = 1 -12 -9 10.3623 16 KVEC( 1006) = 6 -7 -27 10.3639 16 KVEC( 1007) = 2 -9 -27 10.3639 16 KVEC( 1008) = 3 -9 -26 10.3669 16 KVEC( 1009) = 4 -8 -28 10.3672 16 KVEC( 1010) = 4 -11 -13 10.3675 16 KVEC( 1011) = 3 -7 -32 10.3754 16 KVEC( 1012) = 4 -10 -20 10.3813 16 KVEC( 1013) = 3 -12 -1 10.3822 16 KVEC( 1014) = 0 -12 -10 10.3881 8 KVEC( 1015) = 6 -8 -24 10.3918 16 KVEC( 1016) = 0 -10 -24 10.3918 8 KVEC( 1017) = 7 -10 -7 10.3974 16 KVEC( 1018) = 7 -9 -16 10.4035 16 KVEC( 1019) = 3 -11 -16 10.4035 16 KVEC( 1020) = 2 -4 -38 10.4066 16 KVEC( 1021) = 3 -12 -3 10.4073 16 KVEC( 1022) = 7 -8 -21 10.4084 16 KVEC( 1023) = 2 -7 -33 10.4100 16 KVEC( 1024) = 2 -12 -8 10.4106 16 KVEC( 1025) = 2 -3 -39 10.4112 16 KVEC( 1026) = 4 -7 -31 10.4147 16 KVEC( 1027) = 1 -8 -31 10.4147 16 KVEC( 1028) = 3 -5 -36 10.4162 16 KVEC( 1029) = 6 -10 -14 10.4184 16 KVEC( 1030) = 0 -11 -19 10.4282 8 KVEC( 1031) = 4 -5 -35 10.4304 16 KVEC( 1032) = 1 -9 -28 10.4349 16 KVEC( 1033) = 4 -9 -25 10.4439 16 KVEC( 1034) = 5 -11 -10 10.4556 16 KVEC( 1035) = 3 -12 -5 10.4573 16 KVEC( 1036) = 6 -6 -30 10.4602 8 KVEC( 1037) = 2 -5 -37 10.4757 16 KVEC( 1038) = 0 -6 -36 10.4836 8 KVEC( 1039) = 8 -9 -11 10.4874 16 KVEC( 1040) = 1 -12 -11 10.4874 16 KVEC( 1041) = 2 -2 -40 10.4893 8 KVEC( 1042) = 7 -10 -9 10.4973 16 KVEC( 1043) = 5 -8 -27 10.4989 16 KVEC( 1044) = 0 -1 -41 10.5063 8 KVEC( 1045) = 6 -11 -1 10.5169 16 KVEC( 1046) = 5 -5 -34 10.5180 8 KVEC( 1047) = 1 -7 -34 10.5180 16 KVEC( 1048) = 2 -12 -10 10.5228 16 KVEC( 1049) = 0 -12 -12 10.5254 8 KVEC( 1050) = 2 -10 -24 10.5264 16 KVEC( 1051) = 5 -7 -30 10.5273 16 KVEC( 1052) = 3 -12 -7 10.5319 16 KVEC( 1053) = 6 -11 -3 10.5417 16 KVEC( 1054) = 4 -11 -15 10.5423 16 KVEC( 1055) = 6 -9 -21 10.5428 16 KVEC( 1056) = 1 -4 -39 10.5455 16 KVEC( 1057) = 3 -10 -23 10.5480 16 KVEC( 1058) = 8 -8 -18 10.5481 8 KVEC( 1059) = 1 -3 -40 10.5562 16 KVEC( 1060) = 5 -10 -19 10.5624 16 KVEC( 1061) = 2 -11 -19 10.5624 16 KVEC( 1062) = 3 -6 -35 10.5646 16 KVEC( 1063) = 0 -8 -32 10.5770 8 KVEC( 1064) = 1 -10 -25 10.5779 16 KVEC( 1065) = 0 -9 -29 10.5784 8 KVEC( 1066) = 1 -11 -20 10.5828 16 KVEC( 1067) = 4 -6 -34 10.5847 16 KVEC( 1068) = 6 -11 -5 10.5911 16 KVEC( 1069) = 5 -11 -12 10.5920 16 KVEC( 1070) = 5 -9 -24 10.5931 16 KVEC( 1071) = 6 -10 -16 10.6046 16 KVEC( 1072) = 1 -5 -38 10.6076 16 KVEC( 1073) = 4 -12 0 10.6138 8 KVEC( 1074) = 7 -9 -18 10.6146 16 KVEC( 1075) = 3 -11 -18 10.6146 16 KVEC( 1076) = 2 -6 -36 10.6171 16 KVEC( 1077) = 7 -10 -11 10.6209 16 KVEC( 1078) = 4 -12 -2 10.6261 16 KVEC( 1079) = 3 -12 -9 10.6306 16 KVEC( 1080) = 7 -7 -26 10.6351 8 KVEC( 1081) = 8 -9 -13 10.6357 16 KVEC( 1082) = 1 -12 -13 10.6357 16 KVEC( 1083) = 1 -2 -41 10.6395 16 KVEC( 1084) = 4 -10 -22 10.6420 16 KVEC( 1085) = 2 -12 -12 10.6583 16 KVEC( 1086) = 4 -12 -4 10.6629 16 KVEC( 1087) = 6 -11 -7 10.6648 16 KVEC( 1088) = 0 -11 -21 10.6755 8 KVEC( 1089) = 5 -6 -33 10.6772 16 KVEC( 1090) = 9 -9 0 10.6799 4 KVEC( 1091) = 7 -8 -23 10.6807 16 KVEC( 1092) = 3 -8 -31 10.6817 16 KVEC( 1093) = 0 -12 -14 10.6853 8 KVEC( 1094) = 9 -9 -2 10.6922 8 KVEC( 1095) = 0 -7 -35 10.6970 8 KVEC( 1096) = 6 -8 -26 10.7011 16 KVEC( 1097) = 0 -10 -26 10.7011 8 KVEC( 1098) = 3 -9 -28 10.7014 16 KVEC( 1099) = 2 -8 -32 10.7093 16 KVEC( 1100) = 6 -7 -29 10.7107 16 KVEC( 1101) = 2 -9 -29 10.7107 16 KVEC( 1102) = 4 -12 -6 10.7239 16 KVEC( 1103) = 4 -8 -30 10.7260 16 KVEC( 1104) = 0 0 -42 10.7282 2 KVEC( 1105) = 9 -9 -4 10.7287 8 KVEC( 1106) = 4 -11 -17 10.7385 16 KVEC( 1107) = 1 -6 -37 10.7412 16 KVEC( 1108) = 8 -10 0 10.7457 8 KVEC( 1109) = 5 -11 -14 10.7510 16 KVEC( 1110) = 3 -12 -11 10.7526 16 KVEC( 1111) = 0 -4 -40 10.7545 8 KVEC( 1112) = 8 -10 -2 10.7578 16 KVEC( 1113) = 6 -11 -9 10.7622 16 KVEC( 1114) = 4 -9 -27 10.7638 16 KVEC( 1115) = 7 -10 -13 10.7673 16 KVEC( 1116) = 0 -3 -41 10.7710 8 KVEC( 1117) = 8 -8 -20 10.7806 8 KVEC( 1118) = 3 -7 -34 10.7824 16 KVEC( 1119) = 9 -9 -6 10.7894 8 KVEC( 1120) = 1 -9 -30 10.7915 16 KVEC( 1121) = 1 -1 -42 10.7936 8 KVEC( 1122) = 8 -10 -4 10.7941 16 KVEC( 1123) = 4 -4 -38 10.8049 8 KVEC( 1124) = 8 -9 -15 10.8061 16 KVEC( 1125) = 1 -12 -15 10.8061 16 KVEC( 1126) = 5 -10 -21 10.8066 16 KVEC( 1127) = 2 -11 -21 10.8066 16 KVEC( 1128) = 4 -7 -33 10.8082 16 KVEC( 1129) = 1 -8 -33 10.8082 16 KVEC( 1130) = 4 -12 -8 10.8087 16 KVEC( 1131) = 3 -4 -39 10.8093 16 KVEC( 1132) = 0 -5 -39 10.8093 8 KVEC( 1133) = 6 -9 -23 10.8117 16 KVEC( 1134) = 6 -10 -18 10.8118 16 KVEC( 1135) = 2 -12 -14 10.8163 16 KVEC( 1136) = 3 -3 -40 10.8197 8 KVEC( 1137) = 2 -7 -35 10.8279 16 KVEC( 1138) = 2 -10 -26 10.8319 16 KVEC( 1139) = 1 -11 -22 10.8387 16 KVEC( 1140) = 6 -6 -32 10.8400 8 KVEC( 1141) = 3 -10 -25 10.8408 16 KVEC( 1142) = 5 -8 -29 10.8414 16 KVEC( 1143) = 7 -9 -20 10.8457 16 KVEC( 1144) = 3 -11 -20 10.8457 16 KVEC( 1145) = 8 -10 -6 10.8544 16 KVEC( 1146) = 0 -2 -42 10.8586 8 KVEC( 1147) = 0 -12 -16 10.8670 8 KVEC( 1148) = 3 -5 -38 10.8699 16 KVEC( 1149) = 4 -5 -37 10.8715 16 KVEC( 1150) = 9 -9 -8 10.8737 8 KVEC( 1151) = 6 -11 -11 10.8828 16 KVEC( 1152) = 2 -4 -40 10.8846 16 KVEC( 1153) = 1 -10 -27 10.8939 16 KVEC( 1154) = 5 -9 -26 10.8967 16 KVEC( 1155) = 3 -12 -13 10.8973 16 KVEC( 1156) = 2 -3 -41 10.9010 16 KVEC( 1157) = 5 -7 -32 10.9048 16 KVEC( 1158) = 5 -12 -1 10.9112 16 KVEC( 1159) = 0 -13 -1 10.9112 8 KVEC( 1160) = 4 -12 -10 10.9169 16 KVEC( 1161) = 4 -10 -24 10.9204 16 KVEC( 1162) = 5 -11 -16 10.9316 16 KVEC( 1163) = 0 -6 -38 10.9344 8 KVEC( 1164) = 5 -12 -3 10.9351 16 KVEC( 1165) = 0 -13 -3 10.9351 8 KVEC( 1166) = 7 -10 -15 10.9357 16 KVEC( 1167) = 8 -10 -8 10.9382 16 KVEC( 1168) = 2 -5 -39 10.9388 16 KVEC( 1169) = 7 -11 0 10.9405 8 KVEC( 1170) = 1 -13 0 10.9405 8 KVEC( 1171) = 0 -11 -23 10.9412 8 KVEC( 1172) = 0 -9 -31 10.9422 8 KVEC( 1173) = 5 -5 -36 10.9436 8 KVEC( 1174) = 1 -7 -36 10.9436 16 KVEC( 1175) = 7 -11 -2 10.9524 16 KVEC( 1176) = 1 -13 -2 10.9524 16 KVEC( 1177) = 4 -11 -19 10.9550 16 KVEC( 1178) = 7 -7 -28 10.9614 8 KVEC( 1179) = 7 -8 -25 10.9700 16 KVEC( 1180) = 0 -8 -34 10.9766 8 KVEC( 1181) = 9 -9 -10 10.9812 8 KVEC( 1182) = 5 -12 -5 10.9828 16 KVEC( 1183) = 0 -13 -5 10.9828 8 KVEC( 1184) = 2 -2 -42 10.9876 8 KVEC( 1185) = 7 -11 -4 10.9881 16 KVEC( 1186) = 1 -13 -4 10.9881 16 KVEC( 1187) = 2 -12 -16 10.9958 16 KVEC( 1188) = 8 -9 -17 10.9976 16 KVEC( 1189) = 1 -12 -17 10.9976 16 KVEC( 1190) = 3 -6 -37 11.0002 16 KVEC( 1191) = 4 -6 -36 11.0078 16 KVEC( 1192) = 0 -1 -43 11.0156 8 KVEC( 1193) = 6 -8 -28 11.0255 16 KVEC( 1194) = 0 -10 -28 11.0255 8 KVEC( 1195) = 6 -11 -13 11.0258 16 KVEC( 1196) = 1 -4 -41 11.0294 16 KVEC( 1197) = 8 -8 -22 11.0318 8 KVEC( 1198) = 6 -10 -20 11.0387 16 KVEC( 1199) = 2 -13 -1 11.0395 16 KVEC( 1200) = 8 -10 -10 11.0451 16 KVEC( 1201) = 7 -11 -6 11.0473 16 KVEC( 1202) = 1 -13 -6 11.0473 16 KVEC( 1203) = 4 -12 -12 11.0476 16 KVEC( 1204) = 3 -9 -30 11.0494 16 KVEC( 1205) = 1 -3 -42 11.0515 16 KVEC( 1206) = 5 -12 -7 11.0538 16 KVEC( 1207) = 0 -13 -7 11.0538 8 KVEC( 1208) = 2 -6 -38 11.0625 16 KVEC( 1209) = 2 -13 -3 11.0632 16 KVEC( 1210) = 3 -12 -15 11.0637 16 KVEC( 1211) = 3 -8 -33 11.0657 16 KVEC( 1212) = 5 -10 -23 11.0691 16 KVEC( 1213) = 2 -11 -23 11.0691 16 KVEC( 1214) = 0 -12 -18 11.0692 8 KVEC( 1215) = 6 -7 -31 11.0702 16 KVEC( 1216) = 2 -9 -31 11.0702 16 KVEC( 1217) = 1 -5 -40 11.0770 16 KVEC( 1218) = 5 -6 -35 11.0849 16 KVEC( 1219) = 7 -9 -22 11.0955 16 KVEC( 1220) = 3 -11 -22 11.0955 16 KVEC( 1221) = 4 -8 -32 11.0968 16 KVEC( 1222) = 6 -9 -25 11.0976 16 KVEC( 1223) = 4 -9 -29 11.0981 16 KVEC( 1224) = 2 -8 -34 11.1041 16 KVEC( 1225) = 2 -13 -5 11.1102 16 KVEC( 1226) = 9 -9 -12 11.1111 8 KVEC( 1227) = 1 -11 -24 11.1121 16 KVEC( 1228) = 7 -10 -17 11.1249 16 KVEC( 1229) = 0 -7 -37 11.1275 8 KVEC( 1230) = 7 -11 -8 11.1297 16 KVEC( 1231) = 1 -13 -8 11.1297 16 KVEC( 1232) = 5 -11 -18 11.1326 16 KVEC( 1233) = 1 -2 -43 11.1427 16 KVEC( 1234) = 5 -12 -9 11.1479 16 KVEC( 1235) = 0 -13 -9 11.1479 8 KVEC( 1236) = 3 -10 -27 11.1494 16 KVEC( 1237) = 2 -10 -28 11.1525 16 KVEC( 1238) = 1 -9 -32 11.1600 16 KVEC( 1239) = 8 -10 -12 11.1743 16 KVEC( 1240) = 2 -13 -7 11.1805 16 KVEC( 1241) = 6 -11 -15 11.1902 16 KVEC( 1242) = 4 -11 -21 11.1907 16 KVEC( 1243) = 1 -6 -39 11.1933 16 KVEC( 1244) = 3 -13 0 11.1949 8 KVEC( 1245) = 2 -12 -18 11.1957 16 KVEC( 1246) = 5 -8 -31 11.1966 16 KVEC( 1247) = 3 -7 -36 11.1980 16 KVEC( 1248) = 4 -12 -14 11.2001 16 KVEC( 1249) = 3 -13 -2 11.2066 16 KVEC( 1250) = 8 -9 -19 11.2092 16 KVEC( 1251) = 1 -12 -19 11.2092 16 KVEC( 1252) = 4 -7 -35 11.2112 16 KVEC( 1253) = 1 -8 -35 11.2112 16 KVEC( 1254) = 4 -10 -26 11.2152 16 KVEC( 1255) = 5 -9 -28 11.2154 16 KVEC( 1256) = 0 -11 -25 11.2238 8 KVEC( 1257) = 1 -10 -29 11.2243 16 KVEC( 1258) = 6 -6 -34 11.2302 8 KVEC( 1259) = 7 -11 -10 11.2347 16 KVEC( 1260) = 1 -13 -10 11.2347 16 KVEC( 1261) = 0 0 -44 11.2390 2 KVEC( 1262) = 0 -4 -42 11.2410 8 KVEC( 1263) = 3 -13 -4 11.2415 16 KVEC( 1264) = 3 -12 -17 11.2508 16 KVEC( 1265) = 2 -7 -37 11.2534 16 KVEC( 1266) = 6 -12 0 11.2577 8 KVEC( 1267) = 9 -9 -14 11.2627 8 KVEC( 1268) = 5 -12 -11 11.2643 16 KVEC( 1269) = 0 -13 -11 11.2643 8 KVEC( 1270) = -4 -4 -40 11.2661 8 KVEC( 1271) = 0 -3 -43 11.2684 8 KVEC( 1272) = 6 -12 -2 11.2692 16 KVEC( 1273) = 2 -13 -9 11.2735 16 KVEC( 1274) = 7 -8 -27 11.2750 16 KVEC( 1275) = 0 -5 -41 11.2819 8 KVEC( 1276) = -3 -4 -41 11.2819 16 KVEC( 1277) = 6 -10 -22 11.2842 16 KVEC( 1278) = 0 -12 -20 11.2910 8 KVEC( 1279) = 9 -10 -1 11.2918 16 KVEC( 1280) = 5 -7 -34 11.2928 16 KVEC( 1281) = 3 -13 -6 11.2994 16 KVEC( 1282) = 8 -8 -24 11.3006 8 KVEC( 1283) = 7 -7 -30 11.3014 8 KVEC( 1284) = 1 -1 -44 11.3015 8 KVEC( 1285) = -3 -3 -42 11.3034 8 KVEC( 1286) = 6 -12 -4 11.3039 16 KVEC( 1287) = 9 -10 -3 11.3149 16 KVEC( 1288) = 0 -9 -33 11.3174 8 KVEC( 1289) = -4 -5 -39 11.3184 16 KVEC( 1290) = 8 -10 -14 11.3251 16 KVEC( 1291) = -3 -5 -40 11.3284 16 KVEC( 1292) = 7 -10 -19 11.3341 16 KVEC( 1293) = 5 -10 -25 11.3485 16 KVEC( 1294) = 2 -11 -25 11.3485 16 KVEC( 1295) = 5 -11 -20 11.3532 16 KVEC( 1296) = 9 -10 -5 11.3609 16 KVEC( 1297) = 6 -12 -6 11.3615 16 KVEC( 1298) = 7 -11 -12 11.3617 16 KVEC( 1299) = 1 -13 -12 11.3617 16 KVEC( 1300) = 7 -9 -24 11.3628 16 KVEC( 1301) = 3 -11 -24 11.3628 16 KVEC( 1302) = 6 -8 -30 11.3635 16 KVEC( 1303) = 0 -10 -30 11.3635 8 KVEC( 1304) = 0 -2 -44 11.3636 8 KVEC( 1305) = -2 -4 -42 11.3655 16 KVEC( 1306) = 4 -12 -16 11.3735 16 KVEC( 1307) = 6 -11 -17 11.3753 16 KVEC( 1308) = 1 -7 -38 11.3763 16 KVEC( 1309) = -5 -5 -38 11.3763 8 KVEC( 1310) = 3 -13 -8 11.3799 16 KVEC( 1311) = 0 -8 -36 11.3851 8 KVEC( 1312) = 2 -13 -11 11.3886 16 KVEC( 1313) = 0 -6 -40 11.3904 8 KVEC( 1314) = -2 -3 -43 11.3927 16 KVEC( 1315) = 6 -9 -27 11.3992 16 KVEC( 1316) = 1 -11 -26 11.4019 16 KVEC( 1317) = 5 -12 -13 11.4025 16 KVEC( 1318) = 0 -13 -13 11.4025 8 KVEC( 1319) = -2 -5 -41 11.4060 16 KVEC( 1320) = 3 -9 -32 11.4096 16 KVEC( 1321) = 2 -12 -20 11.4150 16 KVEC( 1322) = 8 -11 -1 11.4158 16 KVEC( 1323) = 4 -13 -1 11.4158 16 KVEC( 1324) = 9 -10 -7 11.4296 16 KVEC( 1325) = 9 -9 -16 11.4352 8 KVEC( 1326) = -4 -6 -38 11.4380 16 KVEC( 1327) = 8 -11 -3 11.4386 16 KVEC( 1328) = 4 -13 -3 11.4386 16 KVEC( 1329) = 8 -9 -21 11.4396 16 KVEC( 1330) = 1 -12 -21 11.4396 16 KVEC( 1331) = 6 -7 -33 11.4411 16 KVEC( 1332) = 2 -9 -33 11.4411 16 KVEC( 1333) = 6 -12 -8 11.4416 16 KVEC( 1334) = -3 -6 -39 11.4421 16 KVEC( 1335) = 4 -11 -23 11.4444 16 KVEC( 1336) = 4 -9 -31 11.4454 16 KVEC( 1337) = 3 -12 -19 11.4577 16 KVEC( 1338) = 3 -8 -35 11.4597 16 KVEC( 1339) = 3 -10 -29 11.4724 16 KVEC( 1340) = 4 -8 -34 11.4783 16 KVEC( 1341) = 3 -13 -10 11.4826 16 KVEC( 1342) = 8 -11 -5 11.4842 16 KVEC( 1343) = 4 -13 -5 11.4842 16 KVEC( 1344) = 2 -10 -30 11.4868 16 KVEC( 1345) = -2 -2 -44 11.4869 8 KVEC( 1346) = 8 -10 -16 11.4966 16 KVEC( 1347) = -5 -6 -37 11.5009 16 KVEC( 1348) = 2 -8 -36 11.5081 16 KVEC( 1349) = 7 -11 -14 11.5101 16 KVEC( 1350) = 1 -13 -14 11.5101 16 KVEC( 1351) = -2 -6 -40 11.5133 16 KVEC( 1352) = -1 -4 -43 11.5156 16 KVEC( 1353) = 9 -10 -9 11.5206 16 KVEC( 1354) = 0 -11 -27 11.5221 8 KVEC( 1355) = 4 -10 -28 11.5250 16 KVEC( 1356) = 0 -1 -45 11.5251 8 KVEC( 1357) = 2 -13 -13 11.5253 16 KVEC( 1358) = 0 -12 -22 11.5311 8 KVEC( 1359) = 1 -9 -34 11.5395 16 KVEC( 1360) = 6 -12 -10 11.5438 16 KVEC( 1361) = 6 -10 -24 11.5472 16 KVEC( 1362) = 5 -9 -30 11.5479 16 KVEC( 1363) = -1 -3 -44 11.5480 16 KVEC( 1364) = -1 -5 -42 11.5499 16 KVEC( 1365) = 8 -11 -7 11.5521 16 KVEC( 1366) = 4 -13 -7 11.5521 16 KVEC( 1367) = 5 -12 -15 11.5616 16 KVEC( 1368) = 0 -13 -15 11.5616 8 KVEC( 1369) = 7 -10 -21 11.5621 16 KVEC( 1370) = 5 -8 -33 11.5636 16 KVEC( 1371) = 0 -7 -39 11.5646 8 KVEC( 1372) = 4 -12 -18 11.5669 16 KVEC( 1373) = 1 -10 -31 11.5678 16 KVEC( 1374) = 6 -11 -19 11.5799 16 KVEC( 1375) = 8 -8 -26 11.5857 8 KVEC( 1376) = 5 -11 -22 11.5920 16 KVEC( 1377) = 7 -8 -29 11.5945 16 KVEC( 1378) = 3 -13 -12 11.6070 16 KVEC( 1379) = -3 -7 -38 11.6212 16 KVEC( 1380) = 1 -8 -37 11.6227 16 KVEC( 1381) = -4 -7 -37 11.6227 16 KVEC( 1382) = 9 -9 -18 11.6276 8 KVEC( 1383) = -6 -6 -36 11.6298 8 KVEC( 1384) = 9 -10 -11 11.6333 16 KVEC( 1385) = 8 -11 -9 11.6422 16 KVEC( 1386) = 4 -13 -9 11.6422 16 KVEC( 1387) = 5 -10 -27 11.6436 16 KVEC( 1388) = 2 -11 -27 11.6436 16 KVEC( 1389) = 7 -9 -26 11.6463 16 KVEC( 1390) = 3 -11 -26 11.6463 16 KVEC( 1391) = -1 -2 -45 11.6466 16 KVEC( 1392) = -1 -6 -41 11.6503 16 KVEC( 1393) = 2 -12 -22 11.6526 16 KVEC( 1394) = 7 -7 -32 11.6538 8 KVEC( 1395) = 7 -12 -1 11.6599 16 KVEC( 1396) = 6 -12 -12 11.6675 16 KVEC( 1397) = 7 -11 -16 11.6789 16 KVEC( 1398) = 1 -13 -16 11.6789 16 KVEC( 1399) = 7 -12 -3 11.6823 16 KVEC( 1400) = 2 -13 -15 11.6827 16 KVEC( 1401) = 3 -12 -21 11.6832 16 KVEC( 1402) = -2 -7 -39 11.6857 16 KVEC( 1403) = 5 -13 0 11.6873 8 KVEC( 1404) = 8 -9 -23 11.6879 16 KVEC( 1405) = 1 -12 -23 11.6879 16 KVEC( 1406) = 8 -10 -18 11.6880 16 KVEC( 1407) = -5 -7 -36 11.6902 16 KVEC( 1408) = 5 -13 -2 11.6984 16 KVEC( 1409) = 0 -9 -35 11.7029 8 KVEC( 1410) = 1 -11 -28 11.7069 16 KVEC( 1411) = 6 -8 -32 11.7141 16 KVEC( 1412) = 0 -10 -32 11.7141 8 KVEC( 1413) = 4 -11 -25 11.7149 16 KVEC( 1414) = 6 -9 -29 11.7153 16 KVEC( 1415) = 7 -12 -5 11.7268 16 KVEC( 1416) = -4 -4 -42 11.7313 8 KVEC( 1417) = 5 -13 -4 11.7318 16 KVEC( 1418) = 5 -12 -17 11.7408 16 KVEC( 1419) = 0 -13 -17 11.7408 8 KVEC( 1420) = 0 -14 0 11.7473 4 KVEC( 1421) = 0 0 -46 11.7499 2 KVEC( 1422) = 3 -13 -14 11.7522 16 KVEC( 1423) = 8 -11 -11 11.7537 16 KVEC( 1424) = 4 -13 -11 11.7537 16 KVEC( 1425) = -3 -4 -43 11.7576 16 KVEC( 1426) = 0 -14 -2 11.7584 8 KVEC( 1427) = 9 -10 -13 11.7671 16 KVEC( 1428) = -4 -5 -41 11.7705 16 KVEC( 1429) = 4 -12 -20 11.7793 16 KVEC( 1430) = 1 -14 -1 11.7800 16 KVEC( 1431) = 3 -9 -34 11.7810 16 KVEC( 1432) = 5 -13 -6 11.7873 16 KVEC( 1433) = 0 -12 -24 11.7885 8 KVEC( 1434) = -3 -3 -44 11.7894 8 KVEC( 1435) = -3 -5 -42 11.7912 16 KVEC( 1436) = 0 -14 -4 11.7917 8 KVEC( 1437) = 7 -12 -7 11.7934 16 KVEC( 1438) = 0 -8 -38 11.8015 8 KVEC( 1439) = 1 -14 -3 11.8022 16 KVEC( 1440) = 6 -11 -21 11.8031 16 KVEC( 1441) = 4 -9 -33 11.8046 16 KVEC( 1442) = 7 -10 -23 11.8078 16 KVEC( 1443) = 3 -10 -31 11.8087 16 KVEC( 1444) = -1 -1 -46 11.8097 8 KVEC( 1445) = 6 -12 -14 11.8120 16 KVEC( 1446) = -1 -7 -40 11.8151 16 KVEC( 1447) = -5 -5 -40 11.8151 8 KVEC( 1448) = 2 -9 -35 11.8226 16 KVEC( 1449) = -6 -7 -35 11.8226 16 KVEC( 1450) = 6 -10 -26 11.8263 16 KVEC( 1451) = 2 -10 -32 11.8337 16 KVEC( 1452) = 0 -11 -29 11.8349 8 KVEC( 1453) = 9 -9 -20 11.8389 8 KVEC( 1454) = 1 -14 -5 11.8463 16 KVEC( 1455) = 0 -14 -6 11.8469 8 KVEC( 1456) = 5 -11 -24 11.8481 16 KVEC( 1457) = 4 -10 -30 11.8488 16 KVEC( 1458) = -2 -4 -44 11.8490 16 KVEC( 1459) = 2 -13 -17 11.8601 16 KVEC( 1460) = -3 -8 -37 11.8625 16 KVEC( 1461) = 5 -13 -8 11.8646 16 KVEC( 1462) = 10 -10 0 11.8666 4 KVEC( 1463) = 2 -14 0 11.8666 8 KVEC( 1464) = 7 -11 -18 11.8673 16 KVEC( 1465) = 1 -13 -18 11.8673 16 KVEC( 1466) = -4 -8 -36 11.8695 16 KVEC( 1467) = -4 -6 -40 11.8746 16 KVEC( 1468) = -2 -5 -43 11.8768 16 KVEC( 1469) = 10 -10 -2 11.8776 8 KVEC( 1470) = 2 -14 -2 11.8776 16 KVEC( 1471) = 7 -12 -9 11.8816 16 KVEC( 1472) = 8 -8 -28 11.8859 8 KVEC( 1473) = -2 -3 -45 11.8860 16 KVEC( 1474) = 8 -11 -13 11.8862 16 KVEC( 1475) = 4 -13 -13 11.8862 16 KVEC( 1476) = -3 -6 -41 11.8896 16 KVEC( 1477) = 5 -9 -32 11.8930 16 KVEC( 1478) = 8 -10 -20 11.8982 16 KVEC( 1479) = 2 -12 -24 11.9074 16 KVEC( 1480) = 10 -10 -4 11.9105 8 KVEC( 1481) = 2 -14 -4 11.9105 16 KVEC( 1482) = 1 -14 -7 11.9122 16 KVEC( 1483) = 3 -13 -16 11.9176 16 KVEC( 1484) = -2 -8 -38 11.9203 16 KVEC( 1485) = 9 -10 -15 11.9214 16 KVEC( 1486) = 1 -10 -33 11.9233 16 KVEC( 1487) = 0 -14 -8 11.9237 8 KVEC( 1488) = -5 -6 -39 11.9243 16 KVEC( 1489) = 9 -11 0 11.9258 8 KVEC( 1490) = 3 -12 -23 11.9264 16 KVEC( 1491) = 7 -8 -31 11.9274 16 KVEC( 1492) = 1 -9 -36 11.9287 16 KVEC( 1493) = 9 -11 -2 11.9367 16 KVEC( 1494) = 5 -12 -19 11.9392 16 KVEC( 1495) = 0 -13 -19 11.9392 8 KVEC( 1496) = -5 -8 -35 11.9411 16 KVEC( 1497) = 7 -9 -28 11.9450 16 KVEC( 1498) = 3 -11 -28 11.9450 16 KVEC( 1499) = 8 -9 -25 11.9528 16 KVEC( 1500) = 1 -12 -25 11.9528 16 KVEC( 1501) = 5 -10 -29 11.9533 16 KVEC( 1502) = 2 -11 -29 11.9533 16 KVEC( 1503) = 5 -13 -10 11.9631 16 KVEC( 1504) = 10 -10 -6 11.9652 8 KVEC( 1505) = 2 -14 -6 11.9652 16 KVEC( 1506) = -2 -6 -42 11.9690 16 KVEC( 1507) = 9 -11 -4 11.9695 16 KVEC( 1508) = 6 -12 -16 11.9765 16 KVEC( 1509) = -2 -2 -46 11.9872 8 KVEC( 1510) = 7 -12 -11 11.9909 16 KVEC( 1511) = 1 -14 -9 11.9995 16 SIZE INCLUDING STAR MEMBERS = 20075 time in recpr: 3.000000000000000E-002 Energy window: 0.2940 < E < 1.315 Greens function calculation for 2 atoms --------- atom 1 ------------- l= 2 qsplit= 2 No symmetrization over eq. k-points is performed The actual position of the atom 1 is: 0.500000 0.000000 0.250000 --------- atom 2 ------------- l= 2 qsplit= 2 No symmetrization over eq. k-points is performed The actual position of the atom 2 is: 0.500000 0.000000 0.750000 ********** Start Reading Cix file ************* Correlated block number 1 Correlated index= 1 0 0 0 0 0 2 0 0 0 0 0 3 0 0 0 0 0 4 0 0 0 0 0 5 Real part of unitary matrix= 0.0000 0.0000 1.0000 0.0000 0.0000 0.7071 0.0000 0.0000 0.0000 0.7071 0.0000 0.7071 0.0000 -0.7071 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.7071 0.0000 0.0000 0.0000 0.7071 Imaginary part of unitary matrix= 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7071 0.0000 0.7071 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Correlated block number 2 Correlated index= 1 0 0 0 0 0 2 0 0 0 0 0 3 0 0 0 0 0 4 0 0 0 0 0 5 Real part of unitary matrix= 0.0000 0.0000 1.0000 0.0000 0.0000 0.7071 0.0000 0.0000 0.0000 0.7071 0.0000 0.7071 0.0000 -0.7071 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.7071 0.0000 0.0000 0.0000 0.7071 Imaginary part of unitary matrix= 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7071 0.0000 0.7071 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 At least one transformation matrix is not Identity BZ-integration with TETRA-program. icor=: 1 Equal occupancy of degenerate states, tol=: 0.1E-05 call eord... call dos... ILOOP 1 ILOOP 2 FERMI ENERGY AT 0.531768780768394 SUM RULE OF TETRAHEDRON INTEGRATION CHECKED call eweigh... k-pnt spin band energy old/new occ. 1 1 33 0.540901 -0.000040/-0.000082 1 1 33 0.540901 -0.000124/-0.000082 29 1 33 0.542338 -0.000347/-0.000334 29 1 33 0.542338 -0.000322/-0.000334 56 1 33 0.546199 -0.000622/-0.000493 56 1 33 0.546199 -0.000365/-0.000493 68 1 33 0.551029 -0.000399/-0.000274 68 1 33 0.551029 -0.000148/-0.000274 74 1 34 0.554478 -0.000007/-0.000004 74 1 34 0.554478 0.000000/-0.000004 number of occupied bands: 36 highest energy: 0.592760440383192 Bandranges (emin - emax) and occupancy: band 1 -3.3521387123 -3.3495241343 0.200000D+01 band 2 -3.3519865530 -3.3492521783 0.200000D+01 band 3 -3.3488268122 -3.3461615964 0.200000D+01 band 4 -3.3485655962 -3.3460081057 0.200000D+01 band 5 -3.3436198639 -3.3430634214 0.200000D+01 band 6 -3.3430307838 -3.3425224447 0.200000D+01 band 7 -2.0038304245 -2.0037452622 0.200000D+01 band 8 -2.0037874417 -2.0036851516 0.200000D+01 band 9 -2.0036862842 -2.0036234941 0.200000D+01 band 10 -2.0036693990 -2.0036225446 0.200000D+01 band 11 -2.0036635622 -2.0035866016 0.200000D+01 band 12 -2.0036294906 -2.0035866016 0.200000D+01 band 13 -2.0029852837 -2.0029468291 0.200000D+01 band 14 -2.0029636192 -2.0028759308 0.200000D+01 band 15 -2.0026036537 -2.0025200666 0.200000D+01 band 16 -2.0025145651 -2.0024264456 0.200000D+01 band 17 -1.4593012314 -1.4501149715 0.200000D+01 band 18 -0.4330804227 -0.3930853080 0.200000D+01 band 19 -0.4043788205 -0.3562752046 0.200000D+01 band 20 -0.3778258515 -0.3493462225 0.200000D+01 band 21 -0.3072874331 -0.2049171884 0.200000D+01 band 22 -0.2191535357 -0.1707666605 0.200000D+01 band 23 0.1956276396 0.2680781247 0.200000D+01 band 24 0.2073400055 0.3169425976 0.200000D+01 band 25 0.2963452152 0.3475602103 0.200000D+01 band 26 0.3227526527 0.3535794915 0.200000D+01 band 27 0.3391282634 0.3832950316 0.200000D+01 band 28 0.3550183972 0.4172403787 0.200000D+01 band 29 0.3902820159 0.4408860088 0.200000D+01 band 30 0.4278833397 0.4823442056 0.200000D+01 band 31 0.4365927660 0.5088751460 0.200000D+01 band 32 0.4488133035 0.5278968675 0.200000D+01 band 33 0.4781883414 0.5541679576 0.193642D+01 band 34 0.4881796758 0.5544778479 0.188045D+01 band 35 0.5141353572 0.6144196133 0.119207D+00 band 36 0.5193645674 0.6439404415 0.639206D-01 band 37 0.5895426554 0.7287641618 0.000000D+00 band 38 0.5978062761 0.7391592015 0.000000D+00 band 39 0.7052052155 0.8494362424 0.000000D+00 band 40 0.7725461142 0.8992459510 0.000000D+00 band 41 0.8581998424 0.9528886957 0.000000D+00 band 42 0.8721736391 1.0001478336 0.000000D+00 band 43 0.8835959120 1.0169163539 0.000000D+00 band 44 0.9145567049 1.0431451671 0.000000D+00 band 45 0.9655935383 1.1205999437 0.000000D+00 band 46 0.9789265181 1.1559139232 0.000000D+00 band 47 1.0256060604 1.1715855265 0.000000D+00 band 48 1.0351472093 1.1782967816 0.000000D+00 band 49 1.0351472093 1.1946839076 0.000000D+00 band 50 1.1201508439 1.1990164956 0.000000D+00 band 51 1.1375096709 1.2046716793 0.000000D+00 band 52 1.1715616808 1.2374518612 0.000000D+00 band 53 1.1769564208 1.2518020374 0.000000D+00 band 54 1.1882971038 1.2918090684 0.000000D+00 band 55 1.2399513464 1.3620821141 0.000000D+00 band 56 1.2399513464 1.3946343855 0.000000D+00 band 57 1.2822118638 1.4625524366 0.000000D+00 band 58 1.3112443419 1.4828382453 0.000000D+00 band 59 1.3593329689 1.5398964381 0.000000D+00 band 60 1.4058695836 1.5845434815 0.000000D+00 band 61 1.4278051794 1.6229141181 0.000000D+00 band 62 1.4796345940 1.6638645089 0.000000D+00 band 63 1.5486967503 1.7434184077 0.000000D+00 band 64 1.5759451227 1.7522177749 0.000000D+00 band 65 1.5759451227 1.7948302747 0.000000D+00 band 66 1.6393172337 1.8502862403 0.000000D+00 band 67 1.7302494745 1.9016120203 0.000000D+00 band 68 1.7560436078 1.9511282768 0.000000D+00 band 69 1.7906635559 1.9636596409 0.000000D+00 band 70 1.8191177856 1.9832900153 0.000000D+00 band 71 1.8191177856 1.9963273536 0.000000D+00 band 72 1.8274166338 1.9999561494 0.000000D+00 band 73 1.8956632159 1.9897690604 0.000000D+00 band 74 1.9208843484 1.9727500094 0.000000D+00 eseper below EF 0.500000000000000 eseper minimum gap 5.000000000000000E-002 Energy to separate semicore and valence states: 0.145627639555226 :NLDA : NUMBER OF ELECTRONS = 68.000 :FLDA : F E R M I - ENERGY = 1.03177 wmist 67.9999999996262 icase,lcase,icix,iorb,nind1,ip1,iSx= 1 1 1 1 5 1 1 icase,lcase,icix,iorb,nind1,ip1,iSx= 1 1 1 1 5 2 2 icase,lcase,icix,iorb,nind1,ip1,iSx= 1 1 1 1 5 3 3 icase,lcase,icix,iorb,nind1,ip1,iSx= 1 1 1 1 5 4 4 icase,lcase,icix,iorb,nind1,ip1,iSx= 1 1 1 1 5 5 5 icase,lcase,icix,iorb,nind1,ip1,iSx= 2 1 2 2 5 1 1 icase,lcase,icix,iorb,nind1,ip1,iSx= 2 1 2 2 5 2 2 icase,lcase,icix,iorb,nind1,ip1,iSx= 2 1 2 2 5 3 3 icase,lcase,icix,iorb,nind1,ip1,iSx= 2 1 2 2 5 4 4 icase,lcase,icix,iorb,nind1,ip1,iSx= 2 1 2 2 5 5 5 cixdim( 1)= 5 noccur( 1, 1)= 1 noccur( 2, 1)= 1 noccur( 3, 1)= 1 noccur( 4, 1)= 1 noccur( 5, 1)= 1 cixdim( 2)= 5 noccur( 1, 2)= 1 noccur( 2, 2)= 1 noccur( 3, 2)= 1 noccur( 4, 2)= 1 noccur( 5, 2)= 1 iSx( 1, 1)= 1 iSx( 2, 1)= 2 iSx( 3, 1)= 3 iSx( 4, 1)= 4 iSx( 5, 1)= 5 iSx( 1, 2)= 1 iSx( 2, 2)= 2 iSx( 3, 2)= 3 iSx( 4, 2)= 4 iSx( 5, 2)= 5 nindo( 1)= 5 nindo( 2)= 5 CF for iorb1= 1 iorb2= 1 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 0.00000000 0.00000000 -0.70710679 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 0.00000000 -0.70710679 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 CF for iorb1= 2 iorb2= 2 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 0.00000000 0.00000000 -0.70710679 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 0.00000000 -0.70710679 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 -------------------------------------------------------------------- W A V E F U N C T I O N S AND C H A R G E S IN S P H E R E S -------------------------------------------------------------------- atom 1 ncomu 0 lmmax 6 LMMAX 6 LM= 0 0 2 0 4 0 4 4 6 0 6 4 atom 2 ncomu 0 lmmax 8 LMMAX 8 LM= 0 0 2 0 -3 2 4 0 4 4 -5 2 6 0 6 4 atom 3 ncomu 0 lmmax 10 LMMAX 10 LM= 0 0 1 0 2 0 3 0 4 0 4 4 5 0 5 4 6 0 6 4 :POS001: AT.NR. -1 POSITION = 0.00000 0.00000 0.00000 MULTIPLICITY = 1 NOT EQUIV ATOM Ba LOCAL ROTATION MATRIX 1.00000 0.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 1.00000 EQUIV ATOM 1 POSITION: 0.000 0.000 0.000 1.00000 0.00000 0.00000 0.00000 0.00000 -1.00000 0.00000 0.00000 0.00000 0.00000 -1.00000 0.00000 ATOMIC PARAMETERS FOR Ba ENERGY PARAMETERS ARE 0.31 0.35 0.41 0.38 0.38 0.38 0.38 ENERGY PARAMETERS ARE 0.38 0.38 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 -0.348236E+00 -0.595264E+00 -0.202408E+00 0.113465E+00 0.160563E+00 5 5 5 0 -0.348236E+00 -0.595264E+00 -0.202408E+00 0.113465E+00 0.160563E+00 5 5 5 1 -0.690786E-01 0.519675E+00 0.272579E+00 0.265791E+00 0.134540E+00 3 3 3 1 -0.690786E-01 0.519675E+00 0.272579E+00 0.265791E+00 0.134540E+00 3 3 3 2 0.470390E+00 -0.149597E-01 -0.125379E+00 -0.336183E+00 0.252772E-01 2 2 2 2 0.470390E+00 -0.149597E-01 -0.125379E+00 -0.336183E+00 0.252772E-01 2 2 2 3 0.475377E+00 0.231392E+00 -0.253858E+00 -0.460176E+00 0.178848E+00 0 0 0 3 0.475377E+00 0.231392E+00 -0.253858E+00 -0.460176E+00 0.178848E+00 0 0 0 4 0.756440E+00 0.943647E+00 -0.506685E-01 -0.274727E+00 0.332373E-02 0 0 0 4 0.756440E+00 0.943647E+00 -0.506685E-01 -0.274727E+00 0.332373E-02 0 0 0 5 0.858122E+00 0.149016E+01 -0.352985E-01 -0.247747E+00 0.130042E-02 0 0 0 5 0.858122E+00 0.149016E+01 -0.352985E-01 -0.247747E+00 0.130042E-02 0 0 0 6 0.940308E+00 0.205714E+01 -0.272566E-01 -0.229777E+00 0.666439E-03 0 0 0 6 0.940308E+00 0.205714E+01 -0.272566E-01 -0.229777E+00 0.666439E-03 0 0 0 7 0.101242E+01 0.265431E+01 -0.221176E-01 -0.216008E+00 0.388187E-03 0 0 0 7 0.101242E+01 0.265431E+01 -0.221176E-01 -0.216008E+00 0.388187E-03 0 0 0 8 0.107798E+01 0.328368E+01 -0.185127E-01 -0.204797E+00 0.244872E-03 0 0 0 8 0.107798E+01 0.328368E+01 -0.185127E-01 -0.204797E+00 0.244872E-03 0 0 0 0 0.184116E+00 -0.263750E+00 0 4 0 LO COEFFICIENT: l,A,B,C 0 0.82331 -1.41648 0.00000 LO COEFFICIENT: l,A,B,C 0 0.37143 0.00000 0.70252 1 -0.259233E+00 0.276132E+00 0 3 0 LO COEFFICIENT: l,A,B,C 1 0.99571 0.25234 0.00000 LO COEFFICIENT: l,A,B,C 1 1.34267 0.00000 -0.35779 LO COEFFICIENT: l,A,B,C 2 0.85882 3.22209 0.00000 :POS002: AT.NR. -2 POSITION = 0.50000 0.00000 0.25000 MULTIPLICITY = 2 NOT EQUIV ATOM Fe LOCAL ROTATION MATRIX 0.70711 -0.70711 0.00000 0.70711 0.70711 0.00000 0.00000 0.00000 1.00000 EQUIV ATOM 1 POSITION: 0.500 0.000 0.250 0.00000 -1.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -1.00000 0.00000 EQUIV ATOM 2 POSITION: 0.500 0.000 0.750 1.00000 0.00000 0.00000 0.00000 0.00000 -1.00000 0.00000 0.00000 0.00000 0.00000 -1.00000 0.00000 ATOMIC PARAMETERS FOR Fe ENERGY PARAMETERS ARE 0.28 0.38 0.49 0.38 0.38 0.38 0.38 ENERGY PARAMETERS ARE 0.38 0.38 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 -0.489376E+00 0.989900E-01 0.120445E+00 0.333375E+00 0.202491E-01 3 3 3 0 -0.489376E+00 0.989900E-01 0.120445E+00 0.333375E+00 0.202491E-01 3 3 3 1 0.569960E+00 0.106739E+00 -0.910406E-01 -0.324219E+00 0.145508E-01 2 2 2 1 0.569960E+00 0.106739E+00 -0.910406E-01 -0.324219E+00 0.145508E-01 2 2 2 2 0.139315E+00 -0.156531E+00 -0.646863E+00 -0.530043E+00 0.873323E+00 0 0 0 2 0.139315E+00 -0.156531E+00 -0.646863E+00 -0.530043E+00 0.873323E+00 0 0 0 3 0.750098E+00 0.758523E+00 -0.598678E-01 -0.293933E+00 0.448009E-02 0 0 0 3 0.750098E+00 0.758523E+00 -0.598678E-01 -0.293933E+00 0.448009E-02 0 0 0 4 0.860425E+00 0.129002E+01 -0.406924E-01 -0.264471E+00 0.164528E-02 0 0 0 4 0.860425E+00 0.129002E+01 -0.406924E-01 -0.264471E+00 0.164528E-02 0 0 0 5 0.949645E+00 0.185584E+01 -0.309627E-01 -0.244850E+00 0.813476E-03 0 0 0 5 0.949645E+00 0.185584E+01 -0.309627E-01 -0.244850E+00 0.813476E-03 0 0 0 6 0.102830E+01 0.246371E+01 -0.248236E-01 -0.229710E+00 0.460205E-03 0 0 0 6 0.102830E+01 0.246371E+01 -0.248236E-01 -0.229710E+00 0.460205E-03 0 0 0 7 0.110001E+01 0.311368E+01 -0.205627E-01 -0.217335E+00 0.283038E-03 0 0 0 7 0.110001E+01 0.311368E+01 -0.205627E-01 -0.217335E+00 0.283038E-03 0 0 0 8 0.116660E+01 0.380438E+01 -0.174320E-01 -0.206889E+00 0.184670E-03 0 0 0 8 0.116660E+01 0.380438E+01 -0.174320E-01 -0.206889E+00 0.184670E-03 0 0 0 0 -0.550382E+00 -0.817023E-01 0 3 0 LO COEFFICIENT: l,A,B,C 0 0.86572 3.51746 0.00000 LO COEFFICIENT: l,A,B,C 0 7.69045 0.00000 -6.83802 1 -0.480204E-01 0.660854E-01 0 1 0 LO COEFFICIENT: l,A,B,C 1 0.79801 4.99594 0.00000 LO COEFFICIENT: l,A,B,C 1 0.08350 0.00000 0.99107 2 0.486690E+00 0.255107E+00 0 0 0 LO COEFFICIENT: l,A,B,C 2 0.98034 0.21114 0.00000 LO COEFFICIENT: l,A,B,C 2 1.30828 0.00000 -0.37449 :POS003: AT.NR. -3 POSITION = 0.00000 0.00000 0.35450 MULTIPLICITY = 2 NOT EQUIV ATOM As LOCAL ROTATION MATRIX 1.00000 0.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 1.00000 EQUIV ATOM 1 POSITION: 0.000 0.000 0.354 1.00000 0.00000 0.00000 0.00000 0.00000 -1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 EQUIV ATOM 2 POSITION: 0.000 0.000 0.645 1.00000 0.00000 0.00000 0.00000 0.00000 -1.00000 0.00000 0.00000 0.00000 0.00000 -1.00000 0.00000 ATOMIC PARAMETERS FOR As ENERGY PARAMETERS ARE 0.34 0.35 0.48 0.38 0.38 0.38 0.38 ENERGY PARAMETERS ARE 0.38 0.38 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 -0.321950E+00 0.558386E+00 0.196057E+00 0.351074E+00 0.404158E-01 3 3 3 0 -0.321950E+00 0.558386E+00 0.196057E+00 0.351074E+00 0.404158E-01 3 3 3 1 0.530317E+00 -0.205847E+00 -0.136127E+00 -0.366745E+00 0.188526E-01 2 2 2 1 0.530317E+00 -0.205847E+00 -0.136127E+00 -0.366745E+00 0.188526E-01 2 2 2 2 -0.717619E+00 -0.375970E+00 0.581206E-01 0.340539E+00 0.214061E-01 1 1 1 2 -0.717619E+00 -0.375970E+00 0.581206E-01 0.340539E+00 0.214061E-01 1 1 1 3 0.868628E+00 0.899558E+00 -0.615593E-01 -0.319905E+00 0.343363E-02 0 0 0 3 0.868628E+00 0.899558E+00 -0.615593E-01 -0.319905E+00 0.343363E-02 0 0 0 4 0.101289E+01 0.164197E+01 -0.401464E-01 -0.284744E+00 0.114276E-02 0 0 0 4 0.101289E+01 0.164197E+01 -0.401464E-01 -0.284744E+00 0.114276E-02 0 0 0 5 0.112494E+01 0.241969E+01 -0.300583E-01 -0.262432E+00 0.543738E-03 0 0 0 5 0.112494E+01 0.241969E+01 -0.300583E-01 -0.262432E+00 0.543738E-03 0 0 0 6 0.122209E+01 0.324978E+01 -0.238868E-01 -0.245568E+00 0.301132E-03 0 0 0 6 0.122209E+01 0.324978E+01 -0.238868E-01 -0.245568E+00 0.301132E-03 0 0 0 7 0.130986E+01 0.413423E+01 -0.196783E-01 -0.231952E+00 0.182733E-03 0 0 0 7 0.130986E+01 0.413423E+01 -0.196783E-01 -0.231952E+00 0.182733E-03 0 0 0 8 0.139088E+01 0.507204E+01 -0.166209E-01 -0.220550E+00 0.118145E-03 0 0 0 8 0.139088E+01 0.507204E+01 -0.166209E-01 -0.220550E+00 0.118145E-03 0 0 0 0 -0.427236E+00 0.349336E+00 0 3 0 LO COEFFICIENT: l,A,B,C 0 0.94959 1.55935 0.00000 LO COEFFICIENT: l,A,B,C 0 3.79482 0.00000 -2.85964 LO COEFFICIENT: l,A,B,C 1 0.88178 3.43519 0.00000 2 0.693026E-01 -0.953903E-01 0 0 0 LO COEFFICIENT: l,A,B,C 2 0.48431 5.97982 0.00000 LO COEFFICIENT: l,A,B,C 2 0.09460 0.00000 0.97955 pr_proc= 2 tot-k= 75 pr_proc= 2 tot-k= 75