Running LAPW2 in single processor 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 BZ-integration with TETRA-program. icor=: 1 Equal occupancy of degenerate states, tol=: 0.1E-05 call eord... call dos... 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0.200000D+01 band 30 0.4278866701 0.4822592957 0.200000D+01 band 31 0.4365944654 0.5088633920 0.200000D+01 band 32 0.4487961398 0.5279909315 0.200000D+01 band 33 0.4781274057 0.5541071737 0.193652D+01 band 34 0.4881246024 0.5544502674 0.188069D+01 band 35 0.5140966556 0.6143938305 0.119065D+00 band 36 0.5194139407 0.6439110334 0.637266D-01 band 37 0.5895388985 0.7287668543 0.000000D+00 band 38 0.5978028600 0.7391137972 0.000000D+00 band 39 0.7051845223 0.8494232298 0.000000D+00 band 40 0.7725103669 0.8992257922 0.000000D+00 band 41 0.8581788966 0.9528813463 0.000000D+00 band 42 0.8721725123 1.0001285261 0.000000D+00 band 43 0.8835857937 1.0168893276 0.000000D+00 band 44 0.9145648824 1.0431271607 0.000000D+00 band 45 0.9655955890 1.1205855463 0.000000D+00 band 46 0.9788968360 1.1558860395 0.000000D+00 band 47 1.0255882306 1.1715714080 0.000000D+00 band 48 1.0351373239 1.1782731162 0.000000D+00 band 49 1.0351373239 1.1946632821 0.000000D+00 band 50 1.1201489166 1.1990050599 0.000000D+00 band 51 1.1374951728 1.2046480815 0.000000D+00 band 52 1.1715384835 1.2374341237 0.000000D+00 band 53 1.1769367082 1.2517914248 0.000000D+00 band 54 1.1882871271 1.2918069145 0.000000D+00 band 55 1.2399518893 1.3620726296 0.000000D+00 band 56 1.2399518893 1.3946225485 0.000000D+00 band 57 1.2822093076 1.4625299733 0.000000D+00 band 58 1.3112374867 1.4828462118 0.000000D+00 band 59 1.3593093099 1.5399118394 0.000000D+00 band 60 1.4058927523 1.5845349535 0.000000D+00 band 61 1.4277960839 1.6228932048 0.000000D+00 band 62 1.4796120213 1.6638721765 0.000000D+00 band 63 1.5486914421 1.7434132135 0.000000D+00 band 64 1.5759364439 1.7522296060 0.000000D+00 band 65 1.5759364439 1.7948349585 0.000000D+00 band 66 1.6392970364 1.8502739456 0.000000D+00 band 67 1.7302319071 1.9016091702 0.000000D+00 band 68 1.7560655342 1.9511280958 0.000000D+00 band 69 1.7906548379 1.9636599197 0.000000D+00 band 70 1.8191126433 1.9832784465 0.000000D+00 band 71 1.8191126433 1.9963447470 0.000000D+00 band 72 1.8273982036 1.9999351409 0.000000D+00 band 73 1.8956270103 1.9897537680 0.000000D+00 band 74 1.9208658506 1.9727318273 0.000000D+00 eseper below EF 0.500000000000000 eseper minimum gap 5.000000000000000E-002 Energy to separate semicore and valence states: 0.145640666125198 :NOE : NUMBER OF ELECTRONS = 68.000 :FER : F E R M I - ENERGY(TETRAH.M.)= 0.53175 wmist 67.9999999996263 FORCE-CALCULATION: F -------------------------------------------------------------------- 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 -------------------------------------------------------------------- :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 -0.348239E+00 -0.595262E+00 -0.202405E+00 0.113470E+00 0.160562E+00 5 5 5 0 -0.348239E+00 -0.595262E+00 -0.202405E+00 0.113470E+00 0.160562E+00 5 5 5 1 -0.690739E-01 0.519680E+00 0.272580E+00 0.265787E+00 0.134541E+00 3 3 3 1 -0.690739E-01 0.519680E+00 0.272580E+00 0.265787E+00 0.134541E+00 3 3 3 2 0.470387E+00 -0.149667E-01 -0.125379E+00 -0.336183E+00 0.252774E-01 2 2 2 2 0.470387E+00 -0.149667E-01 -0.125379E+00 -0.336183E+00 0.252774E-01 2 2 2 3 0.475373E+00 0.231383E+00 -0.253862E+00 -0.460178E+00 0.178854E+00 0 0 0 3 0.475373E+00 0.231383E+00 -0.253862E+00 -0.460178E+00 0.178854E+00 0 0 0 4 0.756439E+00 0.943641E+00 -0.506686E-01 -0.274727E+00 0.332375E-02 0 0 0 4 0.756439E+00 0.943641E+00 -0.506686E-01 -0.274727E+00 0.332375E-02 0 0 0 5 0.858121E+00 0.149016E+01 -0.352986E-01 -0.247747E+00 0.130042E-02 0 0 0 5 0.858121E+00 0.149016E+01 -0.352986E-01 -0.247747E+00 0.130042E-02 0 0 0 6 0.940307E+00 0.205714E+01 -0.272566E-01 -0.229777E+00 0.666441E-03 0 0 0 6 0.940307E+00 0.205714E+01 -0.272566E-01 -0.229777E+00 0.666441E-03 0 0 0 7 0.101242E+01 0.265430E+01 -0.221176E-01 -0.216008E+00 0.388188E-03 0 0 0 7 0.101242E+01 0.265430E+01 -0.221176E-01 -0.216008E+00 0.388188E-03 0 0 0 8 0.107798E+01 0.328367E+01 -0.185128E-01 -0.204797E+00 0.244872E-03 0 0 0 8 0.107798E+01 0.328367E+01 -0.185128E-01 -0.204797E+00 0.244872E-03 0 0 0 0 0.184110E+00 -0.263758E+00 0 4 0 LO COEFFICIENT: l,A,B,C 0 0.82331 -1.41651 0.00000 LO COEFFICIENT: l,A,B,C 0 0.37142 0.00000 0.70253 1 -0.259229E+00 0.276139E+00 0 3 0 LO COEFFICIENT: l,A,B,C 1 0.99571 0.25232 0.00000 LO COEFFICIENT: l,A,B,C 1 1.34265 0.00000 -0.35776 LO COEFFICIENT: l,A,B,C 2 0.85882 3.22206 0.00000 atom 1 ncomu 0 lmmax 6 LMMAX 6 LM= 0 0 2 0 4 0 4 4 6 0 6 4 0 TOTAL CHARGE INSIDE SPHERE 1: 6.976808 :PCS001: PARTIAL CHARGES SPHERE = 1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ :QTL001: 1.8814 4.9365 0.1422 0.0160 1.6560 3.2805 0.0000 0.0256 0.0350 0.0108 0.0708 0.0000 Q-s-low E-s-low Q-p-low E-p-low Q-d-low E-d-low Q-f-low E-f-low :EPL001: 1.8530 -1.4514 4.7713 -0.3733 0.0054 -0.2418 0.0009 -0.2444 Q-s-hi E-s-hi Q-p-hi E-p-hi Q-d-hi E-d-hi Q-f-hi E-f-hi :EPH001: 0.0284 0.2927 0.1652 0.3318 0.1368 0.3757 0.0150 0.3947 EFG INSIDE SPHERE 1: -10.856232 UP TO R = 2.5000000 :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 -0.489380E+00 0.989752E-01 0.120445E+00 0.333376E+00 0.202489E-01 3 3 3 0 -0.489380E+00 0.989752E-01 0.120445E+00 0.333376E+00 0.202489E-01 3 3 3 1 0.569963E+00 0.106752E+00 -0.910402E-01 -0.324219E+00 0.145506E-01 2 2 2 1 0.569963E+00 0.106752E+00 -0.910402E-01 -0.324219E+00 0.145506E-01 2 2 2 2 0.139308E+00 -0.156529E+00 -0.646880E+00 -0.530059E+00 0.873364E+00 0 0 0 2 0.139308E+00 -0.156529E+00 -0.646880E+00 -0.530059E+00 0.873364E+00 0 0 0 3 0.750101E+00 0.758539E+00 -0.598674E-01 -0.293932E+00 0.448001E-02 0 0 0 3 0.750101E+00 0.758539E+00 -0.598674E-01 -0.293932E+00 0.448001E-02 0 0 0 4 0.860427E+00 0.129004E+01 -0.406922E-01 -0.264471E+00 0.164526E-02 0 0 0 4 0.860427E+00 0.129004E+01 -0.406922E-01 -0.264471E+00 0.164526E-02 0 0 0 5 0.949647E+00 0.185586E+01 -0.309626E-01 -0.244850E+00 0.813468E-03 0 0 0 5 0.949647E+00 0.185586E+01 -0.309626E-01 -0.244850E+00 0.813468E-03 0 0 0 6 0.102830E+01 0.246372E+01 -0.248236E-01 -0.229710E+00 0.460202E-03 0 0 0 6 0.102830E+01 0.246372E+01 -0.248236E-01 -0.229710E+00 0.460202E-03 0 0 0 7 0.110001E+01 0.311369E+01 -0.205627E-01 -0.217335E+00 0.283036E-03 0 0 0 7 0.110001E+01 0.311369E+01 -0.205627E-01 -0.217335E+00 0.283036E-03 0 0 0 8 0.116660E+01 0.380439E+01 -0.174320E-01 -0.206889E+00 0.184669E-03 0 0 0 8 0.116660E+01 0.380439E+01 -0.174320E-01 -0.206889E+00 0.184669E-03 0 0 0 0 -0.550386E+00 -0.817173E-01 0 3 0 LO COEFFICIENT: l,A,B,C 0 0.86572 3.51750 0.00000 LO COEFFICIENT: l,A,B,C 0 7.69054 0.00000 -6.83811 1 -0.479956E-01 0.661194E-01 0 1 0 LO COEFFICIENT: l,A,B,C 1 0.79801 4.99599 0.00000 LO COEFFICIENT: l,A,B,C 1 0.08346 0.00000 0.99107 2 0.486692E+00 0.255119E+00 0 0 0 LO COEFFICIENT: l,A,B,C 2 0.98034 0.21112 0.00000 LO COEFFICIENT: l,A,B,C 2 1.30826 0.00000 -0.37447 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 0 TOTAL CHARGE INSIDE SPHERE 2: 13.638533 :PCS002: PARTIAL CHARGES SPHERE = 2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ :QTL002: 0.3708 6.3767 6.8603 0.0241 2.0997 4.2771 0.0000 1.4454 1.4376 1.2002 2.7771 0.0000 Q-s-low E-s-low Q-p-low E-p-low Q-d-low E-d-low Q-f-low E-f-low :EPL002: 0.0867 -0.2646 6.0619 -3.3089 0.0709 -0.2435 0.0062 -0.4631 Q-s-hi E-s-hi Q-p-hi E-p-hi Q-d-hi E-d-hi Q-f-hi E-f-hi :EPH002: 0.2841 0.2658 0.3149 0.3628 6.7894 0.4346 0.0178 0.3650 EFG INSIDE SPHERE 2: -2.013518 UP TO R = 2.3900000 :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 -0.321944E+00 0.558396E+00 0.196059E+00 0.351073E+00 0.404165E-01 3 3 3 0 -0.321944E+00 0.558396E+00 0.196059E+00 0.351073E+00 0.404165E-01 3 3 3 1 0.530313E+00 -0.205856E+00 -0.136128E+00 -0.366745E+00 0.188530E-01 2 2 2 1 0.530313E+00 -0.205856E+00 -0.136128E+00 -0.366745E+00 0.188530E-01 2 2 2 2 -0.717618E+00 -0.375962E+00 0.581225E-01 0.340540E+00 0.214052E-01 1 1 1 2 -0.717618E+00 -0.375962E+00 0.581225E-01 0.340540E+00 0.214052E-01 1 1 1 3 0.868626E+00 0.899551E+00 -0.615596E-01 -0.319906E+00 0.343367E-02 0 0 0 3 0.868626E+00 0.899551E+00 -0.615596E-01 -0.319906E+00 0.343367E-02 0 0 0 4 0.101289E+01 0.164196E+01 -0.401465E-01 -0.284744E+00 0.114276E-02 0 0 0 4 0.101289E+01 0.164196E+01 -0.401465E-01 -0.284744E+00 0.114276E-02 0 0 0 5 0.112494E+01 0.241969E+01 -0.300583E-01 -0.262432E+00 0.543740E-03 0 0 0 5 0.112494E+01 0.241969E+01 -0.300583E-01 -0.262432E+00 0.543740E-03 0 0 0 6 0.122209E+01 0.324977E+01 -0.238868E-01 -0.245568E+00 0.301133E-03 0 0 0 6 0.122209E+01 0.324977E+01 -0.238868E-01 -0.245568E+00 0.301133E-03 0 0 0 7 0.130986E+01 0.413422E+01 -0.196783E-01 -0.231952E+00 0.182734E-03 0 0 0 7 0.130986E+01 0.413422E+01 -0.196783E-01 -0.231952E+00 0.182734E-03 0 0 0 8 0.139088E+01 0.507203E+01 -0.166210E-01 -0.220550E+00 0.118145E-03 0 0 0 8 0.139088E+01 0.507203E+01 -0.166210E-01 -0.220550E+00 0.118145E-03 0 0 0 0 -0.427230E+00 0.349346E+00 0 3 0 LO COEFFICIENT: l,A,B,C 0 0.94959 1.55931 0.00000 LO COEFFICIENT: l,A,B,C 0 3.79474 0.00000 -2.85957 LO COEFFICIENT: l,A,B,C 1 0.88178 3.43514 0.00000 2 0.692518E-01 -0.954558E-01 0 0 0 LO COEFFICIENT: l,A,B,C 2 0.48433 5.97986 0.00000 LO COEFFICIENT: l,A,B,C 2 0.09453 0.00000 0.97956 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 0 TOTAL CHARGE INSIDE SPHERE 3: 12.597522 :PCS003: PARTIAL CHARGES SPHERE = 3 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ :QTL003: 1.1819 1.386010.0157 0.0115 0.4636 0.9224 0.0000 2.0035 2.0042 2.0041 4.0039 0.0000 Q-s-low E-s-low Q-p-low E-p-low Q-d-low E-d-low Q-f-low E-f-low :EPL003: 1.1148 -0.2256 0.0165 -0.3626 9.9607 -2.0032 0.0004 -1.5263 Q-s-hi E-s-hi Q-p-hi E-p-hi Q-d-hi E-d-hi Q-f-hi E-f-hi :EPH003: 0.0670 0.3349 1.3695 0.3323 0.0550 0.4193 0.0111 0.4566 EFG INSIDE SPHERE 3: -0.590116 UP TO R = 2.1200000 atpar (cpu,wall): 0.0 0.0 readvec (cpu,wall): 0.1 0.2 readvec, read only (cpu,wall): 0.0 0.1 blocked loop (cpu): 1.9 2.0 reduced (cpu): 0.1 0.1 ilm-tot loop (cpu): 2.5 2.6 ilm-1 loop (cpu): 0.7 ilm-2 loop (cpu): 0.8 ilm-3 loop (cpu): 0.9 write-clm (cpu,wall): 0.0 0.0 write-scf (cpu,wall): 0.0 0.0 write-efg (cpu,wakk): 0.0 0.0 write (cpu,wall): 0.0 0.0 :CHA : TOTAL CHARGE INSIDE UNIT CELL = 68.000000 SUM OF EIGENVALUES: -76.843954 max k indices: 5 5 16 n,iff1,iff2,iff3 861 27 27 72 FORCE-CALCULATION: F 1511 FOURIER COEFFICIENTS CALCULATED LARGEST COMPONENTS: 6 6 17 =====>>> CPU TIME SUMMARY TOTAL : 12.1 ... 100. PERCENT PART FERMI : 0.1 ... 0. PERCENT PART CLM : 4.7 ... 39. PERCENT PART FOURIR : 7.3 ... 61. PERCENT =====>>> WALL TIME SUMMARY TOTAL : 12.5 ... 100. PERCENT PART FERMI : 0.1 ... 1. PERCENT PART CLM : 5.0 ... 40. PERCENT PART FOURIR : 7.4 ... 59. PERCENT