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 = K122 LATTICE = B LATTICE CONSTANTS ARE = 7.2565510 7.2565510 26.1727170 NUMBER OF ATOMS IN UNITCELL = 3 MODE OF CALCULATION IS = RELA TYPE OF COORDINATES IN DSPLIT= generate new recprlist KXMAX,KYMAX,KZMAX 24 24 24 1506 PLANE WAVES GENERATED (INCLUDING FORBIDDEN H,K,L) nwav1,kn 11111 1506 KVEC( 1) = 0 0 0 0.0000 1 KVEC( 2) = 0 0 -2 0.4801 2 KVEC( 3) = 0 -1 -1 0.8985 8 KVEC( 4) = 0 0 -4 0.9603 2 KVEC( 5) = 0 -1 -3 1.1262 8 KVEC( 6) = 1 -1 0 1.2245 4 KVEC( 7) = 1 -1 -2 1.3153 8 KVEC( 8) = 0 0 -6 1.4404 2 KVEC( 9) = 0 -1 -5 1.4800 8 KVEC( 10) = 1 -1 -4 1.5561 8 KVEC( 11) = 0 -2 0 1.7317 4 KVEC( 12) = 0 -2 -2 1.7971 8 KVEC( 13) = 0 -1 -7 1.8904 8 KVEC( 14) = 1 -1 -6 1.8906 8 KVEC( 15) = 0 0 -8 1.9205 2 KVEC( 16) = 1 -2 -1 1.9510 16 KVEC( 17) = 0 -2 -4 1.9801 8 KVEC( 18) = 1 -2 -3 2.0657 16 KVEC( 19) = 0 -2 -6 2.2525 8 KVEC( 20) = 1 -1 -8 2.2777 8 KVEC( 21) = 1 -2 -5 2.2780 16 KVEC( 22) = 0 -1 -9 2.3276 8 KVEC( 23) = 0 0 -10 2.4007 2 KVEC( 24) = 2 -2 0 2.4490 4 KVEC( 25) = 2 -2 -2 2.4957 8 KVEC( 26) = 1 -2 -7 2.5637 16 KVEC( 27) = 0 -2 -8 2.5860 8 KVEC( 28) = 0 -3 -1 2.6087 8 KVEC( 29) = 2 -2 -4 2.6306 8 KVEC( 30) = 1 -1 -10 2.6949 8 KVEC( 31) = 0 -3 -3 2.6956 8 KVEC( 32) = 1 -3 0 2.7381 8 KVEC( 33) = 0 -1 -11 2.7791 8 KVEC( 34) = 1 -3 -2 2.7799 16 KVEC( 35) = 2 -2 -6 2.8412 8 KVEC( 36) = 0 -3 -5 2.8615 8 KVEC( 37) = 0 0 -12 2.8808 2 KVEC( 38) = 1 -2 -9 2.9012 16 KVEC( 39) = 1 -3 -4 2.9016 16 KVEC( 40) = 0 -2 -10 2.9601 8 KVEC( 41) = 0 -3 -7 3.0938 8 KVEC( 42) = 1 -3 -6 3.0939 16 KVEC( 43) = 2 -2 -8 3.1123 8 KVEC( 44) = 1 -1 -12 3.1302 8 KVEC( 45) = 2 -3 -1 3.1311 16 KVEC( 46) = 2 -3 -3 3.2039 16 KVEC( 47) = 0 -1 -13 3.2387 8 KVEC( 48) = 1 -2 -11 3.2745 16 KVEC( 49) = 1 -3 -8 3.3445 16 KVEC( 50) = 2 -3 -5 3.3447 16 KVEC( 51) = 0 0 -14 3.3609 2 KVEC( 52) = 0 -2 -12 3.3612 8 KVEC( 53) = 0 -3 -9 3.3787 8 KVEC( 54) = 2 -2 -10 3.4294 8 KVEC( 55) = 0 -4 0 3.4635 4 KVEC( 56) = 0 -4 -2 3.4966 8 KVEC( 57) = 2 -3 -7 3.5455 16 KVEC( 58) = 1 -1 -14 3.5770 8 KVEC( 59) = 1 -4 -1 3.5781 16 KVEC( 60) = 0 -4 -4 3.5941 8 KVEC( 61) = 1 -3 -10 3.6415 16 KVEC( 62) = 1 -4 -3 3.6420 16 KVEC( 63) = 1 -2 -13 3.6727 16 KVEC( 64) = 3 -3 0 3.6735 4 KVEC( 65) = 0 -1 -15 3.7036 8 KVEC( 66) = 0 -3 -11 3.7042 8 KVEC( 67) = 3 -3 -2 3.7048 8 KVEC( 68) = 0 -4 -6 3.7510 8 KVEC( 69) = 1 -4 -5 3.7664 16 KVEC( 70) = 0 -2 -14 3.7808 8 KVEC( 71) = 2 -2 -12 3.7811 8 KVEC( 72) = 2 -3 -9 3.7966 16 KVEC( 73) = 3 -3 -4 3.7970 8 KVEC( 74) = 0 0 -16 3.8411 2 KVEC( 75) = 2 -4 0 3.8723 8 KVEC( 76) = 2 -4 -2 3.9019 16 KVEC( 77) = 1 -4 -7 3.9458 16 KVEC( 78) = 3 -3 -6 3.9458 8 KVEC( 79) = 0 -4 -8 3.9603 8 KVEC( 80) = 1 -3 -12 3.9744 16 KVEC( 81) = 2 -4 -4 3.9896 16 KVEC( 82) = 1 -1 -16 4.0315 8 KVEC( 83) = 0 -3 -13 4.0605 8 KVEC( 84) = 1 -2 -15 4.0885 16 KVEC( 85) = 2 -3 -11 4.0890 16 KVEC( 86) = 2 -4 -6 4.1315 16 KVEC( 87) = 3 -3 -8 4.1453 8 KVEC( 88) = 2 -2 -14 4.1586 8 KVEC( 89) = 0 -1 -17 4.1720 8 KVEC( 90) = 1 -4 -9 4.1729 16 KVEC( 91) = 0 -2 -16 4.2134 8 KVEC( 92) = 0 -4 -10 4.2141 8 KVEC( 93) = 0 0 -18 4.3212 2 KVEC( 94) = 2 -4 -8 4.3224 16 KVEC( 95) = 1 -3 -14 4.3351 16 KVEC( 96) = 3 -4 -1 4.3360 16 KVEC( 97) = 0 -5 -1 4.3360 8 KVEC( 98) = 3 -3 -10 4.3884 8 KVEC( 99) = 3 -4 -3 4.3888 16 KVEC( 100) = 0 -5 -3 4.3888 8 KVEC( 101) = 2 -3 -13 4.4143 16 KVEC( 102) = 1 -5 0 4.4151 8 KVEC( 103) = 0 -3 -15 4.4401 8 KVEC( 104) = 1 -4 -11 4.4406 16 KVEC( 105) = 1 -5 -2 4.4411 16 KVEC( 106) = 1 -1 -18 4.4913 8 KVEC( 107) = 3 -4 -5 4.4926 16 KVEC( 108) = 0 -5 -5 4.4926 8 KVEC( 109) = 0 -4 -12 4.5049 8 KVEC( 110) = 1 -2 -17 4.5171 16 KVEC( 111) = 1 -5 -4 4.5183 16 KVEC( 112) = 2 -2 -16 4.5554 8 KVEC( 113) = 2 -4 -10 4.5560 16 KVEC( 114) = 0 -1 -19 4.6427 8 KVEC( 115) = 3 -4 -7 4.6440 16 KVEC( 116) = 0 -5 -7 4.6440 8 KVEC( 117) = 1 -5 -6 4.6441 16 KVEC( 118) = 0 -2 -18 4.6553 8 KVEC( 119) = 3 -3 -12 4.6684 8 KVEC( 120) = 2 -5 -1 4.6690 16 KVEC( 121) = 1 -3 -16 4.7171 16 KVEC( 122) = 2 -5 -3 4.7181 16 KVEC( 123) = 1 -4 -13 4.7418 16 KVEC( 124) = 2 -3 -15 4.7659 16 KVEC( 125) = 0 0 -20 4.8013 2 KVEC( 126) = 1 -5 -8 4.8147 16 KVEC( 127) = 2 -5 -5 4.8148 16 KVEC( 128) = 0 -4 -14 4.8261 8 KVEC( 129) = 2 -4 -12 4.8263 16 KVEC( 130) = 0 -3 -17 4.8377 8 KVEC( 131) = 3 -4 -9 4.8385 16 KVEC( 132) = 0 -5 -9 4.8385 8 KVEC( 133) = 4 -4 0 4.8981 4 KVEC( 134) = 4 -4 -2 4.9215 8 KVEC( 135) = 1 -1 -20 4.9550 8 KVEC( 136) = 1 -2 -19 4.9552 16 KVEC( 137) = 2 -5 -7 4.9564 16 KVEC( 138) = 2 -2 -18 4.9669 8 KVEC( 139) = 3 -3 -14 4.9790 8 KVEC( 140) = 4 -4 -4 4.9913 8 KVEC( 141) = 1 -5 -10 5.0255 16 KVEC( 142) = 3 -5 0 5.0488 8 KVEC( 143) = 1 -4 -15 5.0707 16 KVEC( 144) = 3 -4 -11 5.0711 16 KVEC( 145) = 0 -5 -11 5.0711 8 KVEC( 146) = 3 -5 -2 5.0716 16 KVEC( 147) = 0 -2 -20 5.1041 8 KVEC( 148) = 4 -4 -6 5.1055 8 KVEC( 149) = 0 -1 -21 5.1152 8 KVEC( 150) = 1 -3 -18 5.1157 16 KVEC( 151) = 2 -4 -14 5.1274 16 KVEC( 152) = 2 -3 -17 5.1383 16 KVEC( 153) = 2 -5 -9 5.1391 16 KVEC( 154) = 3 -5 -4 5.1393 16 KVEC( 155) = 0 -4 -16 5.1720 8 KVEC( 156) = 0 -6 0 5.1952 4 KVEC( 157) = 0 -6 -2 5.2173 8 KVEC( 158) = 0 -3 -19 5.2491 8 KVEC( 159) = 3 -5 -6 5.2503 16 KVEC( 160) = 4 -4 -8 5.2611 8 KVEC( 161) = 1 -5 -12 5.2718 16 KVEC( 162) = 1 -6 -1 5.2723 16 KVEC( 163) = 0 0 -22 5.2815 2 KVEC( 164) = 0 -6 -4 5.2832 8 KVEC( 165) = 3 -3 -16 5.3150 8 KVEC( 166) = 1 -6 -3 5.3159 16 KVEC( 167) = 3 -4 -13 5.3369 16 KVEC( 168) = 0 -5 -13 5.3369 8 KVEC( 169) = 2 -5 -11 5.3587 16 KVEC( 170) = 2 -2 -20 5.3898 8 KVEC( 171) = 0 -6 -6 5.3912 8 KVEC( 172) = 1 -2 -21 5.4004 16 KVEC( 173) = 3 -5 -8 5.4018 16 KVEC( 174) = 1 -6 -5 5.4019 16 KVEC( 175) = 1 -1 -22 5.4216 8 KVEC( 176) = 1 -4 -17 5.4223 16 KVEC( 177) = 2 -4 -16 5.4542 16 KVEC( 178) = 4 -4 -10 5.4547 8 KVEC( 179) = 2 -6 0 5.4762 8 KVEC( 180) = 2 -6 -2 5.4972 16 KVEC( 181) = 1 -3 -20 5.5272 16 KVEC( 182) = 2 -3 -19 5.5273 16 KVEC( 183) = 1 -6 -7 5.5284 16 KVEC( 184) = 0 -4 -18 5.5379 8 KVEC( 185) = 0 -6 -8 5.5388 8 KVEC( 186) = 1 -5 -14 5.5487 16 KVEC( 187) = 4 -5 -1 5.5494 16 KVEC( 188) = 0 -2 -22 5.5581 8 KVEC( 189) = 2 -6 -4 5.5598 16 KVEC( 190) = 0 -1 -23 5.5890 8 KVEC( 191) = 3 -5 -10 5.5905 16 KVEC( 192) = 4 -5 -3 5.5908 16 KVEC( 193) = 2 -5 -13 5.6109 16 KVEC( 194) = 3 -4 -15 5.6312 16 KVEC( 195) = 0 -5 -15 5.6312 8 KVEC( 196) = 2 -6 -6 5.6625 16 KVEC( 197) = 0 -3 -21 5.6713 8 KVEC( 198) = 3 -3 -18 5.6717 8 KVEC( 199) = 4 -5 -5 5.6727 16 KVEC( 200) = 4 -4 -12 5.6824 8 KVEC( 201) = 1 -6 -9 5.6928 16 KVEC( 202) = 0 -6 -10 5.7230 8 KVEC( 203) = 0 0 -24 5.7616 2 KVEC( 204) = 1 -4 -19 5.7923 16 KVEC( 205) = 4 -5 -7 5.7933 16 KVEC( 206) = 2 -4 -18 5.8023 16 KVEC( 207) = 2 -6 -8 5.8032 16 KVEC( 208) = 3 -5 -12 5.8129 16 KVEC( 209) = 3 -6 -1 5.8134 16 KVEC( 210) = 2 -2 -22 5.8216 8 KVEC( 211) = 1 -2 -23 5.8511 16 KVEC( 212) = 1 -5 -16 5.8520 16 KVEC( 213) = 3 -6 -3 5.8529 16 KVEC( 214) = 1 -1 -24 5.8903 8 KVEC( 215) = 2 -5 -15 5.8914 16 KVEC( 216) = 1 -6 -11 5.8918 16 KVEC( 217) = 0 -4 -20 5.9202 8 KVEC( 218) = 2 -3 -21 5.9298 16 KVEC( 219) = 3 -6 -5 5.9311 16 KVEC( 220) = 4 -4 -14 5.9403 8 KVEC( 221) = 0 -6 -12 5.9404 8 KVEC( 222) = 1 -3 -22 5.9490 16 KVEC( 223) = 3 -4 -17 5.9497 16 KVEC( 224) = 0 -5 -17 5.9497 8 KVEC( 225) = 4 -5 -9 5.9504 16 KVEC( 226) = 2 -6 -10 5.9793 16 KVEC( 227) = 0 -2 -24 6.0162 8 KVEC( 228) = 3 -3 -20 6.0455 8 KVEC( 229) = 3 -6 -7 6.0466 16 KVEC( 230) = 0 -1 -25 6.0638 8 KVEC( 231) = 3 -5 -14 6.0652 16 KVEC( 232) = 0 -7 -1 6.0658 8 KVEC( 233) = 0 -3 -23 6.1020 8 KVEC( 234) = 0 -7 -3 6.1037 8 KVEC( 235) = 1 -6 -13 6.1220 16 KVEC( 236) = 5 -5 0 6.1226 4 KVEC( 237) = 1 -7 0 6.1226 8 KVEC( 238) = 4 -5 -11 6.1410 16 KVEC( 239) = 5 -5 -2 6.1414 8 KVEC( 240) = 1 -7 -2 6.1414 16 KVEC( 241) = 2 -4 -20 6.1682 16 KVEC( 242) = 1 -4 -21 6.1774 16 KVEC( 243) = 1 -5 -18 6.1778 16 KVEC( 244) = 0 -7 -5 6.1788 8 KVEC( 245) = 0 -6 -14 6.1875 8 KVEC( 246) = 2 -6 -12 6.1877 16 KVEC( 247) = 2 -5 -17 6.1966 16 KVEC( 248) = 3 -6 -9 6.1972 16 KVEC( 249) = 5 -5 -4 6.1974 8 KVEC( 250) = 1 -7 -4 6.1974 16 KVEC( 251) = 4 -4 -16 6.2245 8 KVEC( 252) = 0 0 -26 6.2417 2 KVEC( 253) = 4 -6 0 6.2438 8 KVEC( 254) = 2 -2 -24 6.2605 8 KVEC( 255) = 4 -6 -2 6.2623 16 KVEC( 256) = 3 -4 -19 6.2887 16 KVEC( 257) = 0 -5 -19 6.2887 8 KVEC( 258) = 0 -7 -7 6.2897 8 KVEC( 259) = 5 -5 -6 6.2897 8 KVEC( 260) = 1 -7 -6 6.2897 16 KVEC( 261) = 1 -2 -25 6.3062 16 KVEC( 262) = 2 -7 -1 6.3082 16 KVEC( 263) = 0 -4 -22 6.3158 8 KVEC( 264) = 4 -6 -4 6.3172 16 KVEC( 265) = 2 -3 -23 6.3430 16 KVEC( 266) = 3 -5 -16 6.3438 16 KVEC( 267) = 2 -7 -3 6.3446 16 KVEC( 268) = 1 -1 -26 6.3607 8 KVEC( 269) = 4 -5 -13 6.3623 16 KVEC( 270) = 1 -3 -24 6.3791 16 KVEC( 271) = 1 -6 -15 6.3802 16 KVEC( 272) = 3 -6 -11 6.3805 16 KVEC( 273) = 4 -6 -6 6.4078 16 KVEC( 274) = 5 -5 -8 6.4167 8 KVEC( 275) = 1 -7 -8 6.4167 16 KVEC( 276) = 2 -7 -5 6.4169 16 KVEC( 277) = 2 -6 -14 6.4253 16 KVEC( 278) = 3 -3 -22 6.4334 8 KVEC( 279) = 0 -7 -9 6.4346 8 KVEC( 280) = 0 -6 -16 6.4609 8 KVEC( 281) = 0 -2 -26 6.4775 8 KVEC( 282) = 1 -5 -20 6.5227 16 KVEC( 283) = 2 -5 -19 6.5228 16 KVEC( 284) = 2 -7 -7 6.5237 16 KVEC( 285) = 4 -4 -18 6.5317 8 KVEC( 286) = 4 -6 -8 6.5325 16 KVEC( 287) = 0 -1 -27 6.5394 8 KVEC( 288) = 0 -3 -25 6.5397 8 KVEC( 289) = 2 -4 -22 6.5489 16 KVEC( 290) = 1 -4 -23 6.5751 16 KVEC( 291) = 5 -5 -10 6.5764 8 KVEC( 292) = 1 -7 -10 6.5764 16 KVEC( 293) = 3 -6 -13 6.5937 16 KVEC( 294) = 3 -7 0 6.5942 8 KVEC( 295) = 4 -5 -15 6.6110 16 KVEC( 296) = 0 -7 -11 6.6113 8 KVEC( 297) = 3 -7 -2 6.6117 16 KVEC( 298) = 3 -4 -21 6.6452 16 KVEC( 299) = 0 -5 -21 6.6452 8 KVEC( 300) = 3 -5 -18 6.6455 16 KVEC( 301) = 1 -6 -17 6.6630 16 KVEC( 302) = 2 -7 -9 6.6636 16 KVEC( 303) = 3 -7 -4 6.6638 16 KVEC( 304) = 2 -6 -16 6.6890 16 KVEC( 305) = 4 -6 -10 6.6894 16 KVEC( 306) = 2 -2 -26 6.7050 8 KVEC( 307) = 0 0 -28 6.7219 2 KVEC( 308) = 0 -4 -24 6.7225 8 KVEC( 309) = 3 -7 -6 6.7497 16 KVEC( 310) = 0 -6 -18 6.7574 8 KVEC( 311) = 1 -2 -27 6.7648 16 KVEC( 312) = 2 -3 -25 6.7651 16 KVEC( 313) = 5 -5 -12 6.7665 8 KVEC( 314) = 1 -7 -12 6.7665 16 KVEC( 315) = 5 -6 -1 6.7669 16 KVEC( 316) = 5 -6 -3 6.8009 16 KVEC( 317) = 1 -3 -26 6.8159 16 KVEC( 318) = 0 -7 -13 6.8173 8 KVEC( 319) = 1 -1 -28 6.8325 8 KVEC( 320) = 3 -3 -24 6.8331 8 KVEC( 321) = 3 -6 -15 6.8341 16 KVEC( 322) = 2 -7 -11 6.8344 16 KVEC( 323) = 4 -4 -20 6.8588 8 KVEC( 324) = 2 -5 -21 6.8671 16 KVEC( 325) = 3 -7 -8 6.8682 16 KVEC( 326) = 5 -6 -5 6.8683 16 KVEC( 327) = 4 -6 -12 6.8764 16 KVEC( 328) = 1 -5 -22 6.8838 16 KVEC( 329) = 4 -5 -17 6.8843 16 KVEC( 330) = 0 -8 0 6.9269 4 KVEC( 331) = 0 -2 -28 6.9413 8 KVEC( 332) = 2 -4 -24 6.9419 16 KVEC( 333) = 0 -8 -2 6.9435 8 KVEC( 334) = 3 -5 -20 6.9673 16 KVEC( 335) = 1 -6 -19 6.9674 16 KVEC( 336) = 5 -6 -7 6.9683 16 KVEC( 337) = 2 -6 -18 6.9758 16 KVEC( 338) = 0 -3 -27 6.9829 8 KVEC( 339) = 1 -4 -25 6.9832 16 KVEC( 340) = 5 -5 -14 6.9844 8 KVEC( 341) = 1 -7 -14 6.9844 16 KVEC( 342) = 4 -7 -1 6.9849 16 KVEC( 343) = 1 -8 -1 6.9849 16 KVEC( 344) = 0 -8 -4 6.9932 8 KVEC( 345) = 0 -1 -29 7.0156 8 KVEC( 346) = 3 -4 -23 7.0164 16 KVEC( 347) = 0 -5 -23 7.0164 8 KVEC( 348) = 3 -7 -10 7.0176 16 KVEC( 349) = 4 -7 -3 7.0179 16 KVEC( 350) = 1 -8 -3 7.0179 16 KVEC( 351) = 2 -7 -13 7.0338 16 KVEC( 352) = 0 -7 -15 7.0501 8 KVEC( 353) = 0 -6 -20 7.0741 8 KVEC( 354) = 0 -8 -6 7.0751 8 KVEC( 355) = 4 -7 -5 7.0833 16 KVEC( 356) = 1 -8 -5 7.0833 16 KVEC( 357) = 4 -6 -14 7.0909 16 KVEC( 358) = 3 -6 -17 7.0988 16 KVEC( 359) = 5 -6 -9 7.0994 16 KVEC( 360) = 0 -4 -26 7.1383 8 KVEC( 361) = 2 -8 0 7.1401 8 KVEC( 362) = 2 -2 -28 7.1541 8 KVEC( 363) = 2 -8 -2 7.1562 16 KVEC( 364) = 4 -5 -19 7.1794 16 KVEC( 365) = 4 -7 -7 7.1802 16 KVEC( 366) = 1 -8 -7 7.1802 16 KVEC( 367) = 0 -8 -8 7.1882 8 KVEC( 368) = 2 -3 -27 7.1944 16 KVEC( 369) = 3 -7 -12 7.1960 16 KVEC( 370) = 0 0 -30 7.2020 2 KVEC( 371) = 4 -4 -22 7.2031 8 KVEC( 372) = 2 -8 -4 7.2044 16 KVEC( 373) = 1 -2 -29 7.2261 16 KVEC( 374) = 2 -5 -23 7.2270 16 KVEC( 375) = 5 -5 -16 7.2277 8 KVEC( 376) = 1 -7 -16 7.2277 16 KVEC( 377) = 3 -3 -26 7.2425 8 KVEC( 378) = 1 -3 -28 7.2581 16 KVEC( 379) = 1 -5 -24 7.2587 16 KVEC( 380) = 2 -7 -15 7.2596 16 KVEC( 381) = 5 -6 -11 7.2599 16 KVEC( 382) = 2 -6 -20 7.2830 16 KVEC( 383) = 2 -8 -6 7.2839 16 KVEC( 384) = 1 -6 -21 7.2908 16 KVEC( 385) = 1 -1 -30 7.3053 8 KVEC( 386) = 3 -5 -22 7.3065 16 KVEC( 387) = 0 -7 -17 7.3070 8 KVEC( 388) = 4 -7 -9 7.3075 16 KVEC( 389) = 1 -8 -9 7.3075 16 KVEC( 390) = 4 -6 -16 7.3307 16 KVEC( 391) = 0 -8 -10 7.3311 8 KVEC( 392) = 2 -4 -26 7.3453 16 KVEC( 393) = 6 -6 0 7.3471 4 KVEC( 394) = 6 -6 -2 7.3628 8 KVEC( 395) = 3 -6 -19 7.3853 16 KVEC( 396) = 2 -8 -8 7.3939 16 KVEC( 397) = 1 -4 -27 7.3999 16 KVEC( 398) = 3 -4 -25 7.4002 16 KVEC( 399) = 0 -5 -25 7.4002 8 KVEC( 400) = 3 -7 -14 7.4013 16 KVEC( 401) = 3 -8 -1 7.4018 16 KVEC( 402) = 0 -2 -30 7.4073 8 KVEC( 403) = 0 -6 -22 7.4084 8 KVEC( 404) = 6 -6 -4 7.4096 8 KVEC( 405) = 0 -3 -29 7.4307 8 KVEC( 406) = 3 -8 -3 7.4329 16 KVEC( 407) = 5 -6 -13 7.4480 16 KVEC( 408) = 5 -7 0 7.4484 8 KVEC( 409) = 4 -7 -11 7.4636 16 KVEC( 410) = 1 -8 -11 7.4636 16 KVEC( 411) = 5 -7 -2 7.4639 16 KVEC( 412) = 6 -6 -6 7.4870 8 KVEC( 413) = 0 -1 -31 7.4923 8 KVEC( 414) = 4 -5 -21 7.4936 16 KVEC( 415) = 5 -5 -18 7.4939 8 KVEC( 416) = 1 -7 -18 7.4939 16 KVEC( 417) = 3 -8 -5 7.4947 16 KVEC( 418) = 0 -8 -12 7.5021 8 KVEC( 419) = 2 -7 -17 7.5094 16 KVEC( 420) = 5 -7 -4 7.5101 16 KVEC( 421) = 2 -8 -10 7.5329 16 KVEC( 422) = 0 -4 -28 7.5617 8 KVEC( 423) = 4 -4 -24 7.5622 8 KVEC( 424) = 0 -7 -19 7.5856 8 KVEC( 425) = 3 -8 -7 7.5864 16 KVEC( 426) = 5 -7 -6 7.5864 16 KVEC( 427) = 4 -6 -18 7.5933 16 KVEC( 428) = 6 -6 -8 7.5940 8 KVEC( 429) = 2 -5 -25 7.6001 16 KVEC( 430) = 2 -2 -30 7.6070 8 KVEC( 431) = 2 -6 -22 7.6081 16 KVEC( 432) = 2 -3 -29 7.6299 16 KVEC( 433) = 1 -6 -23 7.6307 16 KVEC( 434) = 3 -7 -16 7.6314 16 KVEC( 435) = 1 -5 -26 7.6454 16 KVEC( 436) = 4 -7 -13 7.6467 16 KVEC( 437) = 1 -8 -13 7.6467 16 KVEC( 438) = 3 -3 -28 7.6602 8 KVEC( 439) = 3 -5 -24 7.6607 16 KVEC( 440) = 5 -6 -15 7.6616 16 KVEC( 441) = 0 0 -32 7.6821 2 KVEC( 442) = 1 -2 -31 7.6898 16 KVEC( 443) = 3 -6 -21 7.6911 16 KVEC( 444) = 5 -7 -8 7.6921 16 KVEC( 445) = 0 -8 -14 7.6992 8 KVEC( 446) = 2 -8 -12 7.6993 16 KVEC( 447) = 1 -3 -30 7.7049 16 KVEC( 448) = 3 -8 -9 7.7070 16 KVEC( 449) = 6 -6 -10 7.7294 8 KVEC( 450) = 4 -8 0 7.7445 8 KVEC( 451) = 2 -4 -28 7.7574 16 KVEC( 452) = 0 -6 -24 7.7580 8 KVEC( 453) = 4 -8 -2 7.7594 16 KVEC( 454) = 1 -1 -32 7.7791 8 KVEC( 455) = 5 -5 -20 7.7807 8 KVEC( 456) = 1 -7 -20 7.7807 16 KVEC( 457) = 2 -7 -19 7.7808 16 KVEC( 458) = 3 -4 -27 7.7947 16 KVEC( 459) = 0 -5 -27 7.7947 8 KVEC( 460) = 0 -9 -1 7.7965 8 KVEC( 461) = 4 -8 -4 7.8038 16 KVEC( 462) = 1 -4 -29 7.8239 16 KVEC( 463) = 4 -5 -23 7.8247 16 KVEC( 464) = 5 -7 -10 7.8258 16 KVEC( 465) = 0 -9 -3 7.8260 8 KVEC( 466) = 1 -9 0 7.8407 8 KVEC( 467) = 4 -7 -15 7.8549 16 KVEC( 468) = 1 -8 -15 7.8549 16 KVEC( 469) = 3 -8 -11 7.8551 16 KVEC( 470) = 1 -9 -2 7.8554 16 KVEC( 471) = 0 -2 -32 7.8749 8 KVEC( 472) = 4 -6 -20 7.8764 16 KVEC( 473) = 4 -8 -6 7.8773 16 KVEC( 474) = 0 -3 -31 7.8824 8 KVEC( 475) = 0 -7 -21 7.8836 8 KVEC( 476) = 3 -7 -18 7.8839 16 KVEC( 477) = 0 -9 -5 7.8847 8 KVEC( 478) = 2 -8 -14 7.8916 16 KVEC( 479) = 6 -6 -12 7.8917 8 KVEC( 480) = 5 -6 -17 7.8986 16 KVEC( 481) = 1 -9 -4 7.8993 16 KVEC( 482) = 0 -8 -16 7.9206 8 KVEC( 483) = 4 -4 -26 7.9341 8 KVEC( 484) = 2 -6 -24 7.9489 16 KVEC( 485) = 0 -1 -33 7.9694 8 KVEC( 486) = 0 -9 -7 7.9719 8 KVEC( 487) = 1 -9 -6 7.9719 16 KVEC( 488) = 4 -8 -8 7.9791 16 KVEC( 489) = 2 -5 -27 7.9847 16 KVEC( 490) = 1 -6 -25 7.9850 16 KVEC( 491) = 5 -7 -12 7.9861 16 KVEC( 492) = 6 -7 -1 7.9865 16 KVEC( 493) = 2 -9 -1 7.9865 16 KVEC( 494) = 0 -4 -30 7.9915 8 KVEC( 495) = 3 -6 -23 8.0140 16 KVEC( 496) = 6 -7 -3 8.0153 16 KVEC( 497) = 2 -9 -3 8.0153 16 KVEC( 498) = 3 -5 -26 8.0280 16 KVEC( 499) = 3 -8 -13 8.0293 16 KVEC( 500) = 1 -5 -28 8.0421 16 KVEC( 501) = 2 -2 -32 8.0630 8 KVEC( 502) = 2 -3 -31 8.0703 16 KVEC( 503) = 2 -7 -21 8.0716 16 KVEC( 504) = 1 -9 -8 8.0725 16 KVEC( 505) = 6 -7 -5 8.0726 16 KVEC( 506) = 2 -9 -5 8.0726 16 KVEC( 507) = 6 -6 -14 8.0793 8 KVEC( 508) = 3 -3 -30 8.0848 8 KVEC( 509) = 5 -5 -22 8.0858 8 KVEC( 510) = 1 -7 -22 8.0858 16 KVEC( 511) = 4 -7 -17 8.0862 16 KVEC( 512) = 1 -8 -17 8.0862 16 KVEC( 513) = 0 -9 -9 8.0867 8 KVEC( 514) = 2 -8 -16 8.1077 16 KVEC( 515) = 4 -8 -10 8.1081 16 KVEC( 516) = 0 -6 -26 8.1209 8 KVEC( 517) = 1 -2 -33 8.1553 16 KVEC( 518) = 1 -3 -32 8.1555 16 KVEC( 519) = 3 -7 -20 8.1570 16 KVEC( 520) = 5 -6 -19 8.1571 16 KVEC( 521) = 6 -7 -7 8.1578 16 KVEC( 522) = 2 -9 -7 8.1578 16 KVEC( 523) = 0 0 -34 8.1623 2 KVEC( 524) = 0 -8 -18 8.1642 8 KVEC( 525) = 4 -5 -25 8.1706 16 KVEC( 526) = 5 -7 -14 8.1716 16 KVEC( 527) = 5 -8 -1 8.1721 16 KVEC( 528) = 2 -4 -30 8.1770 16 KVEC( 529) = 4 -6 -22 8.1780 16 KVEC( 530) = 3 -4 -29 8.1983 16 KVEC( 531) = 0 -5 -29 8.1983 8 KVEC( 532) = 0 -7 -23 8.1990 8 KVEC( 533) = 1 -9 -10 8.2000 16 KVEC( 534) = 5 -8 -3 8.2002 16 KVEC( 535) = 3 -9 0 8.2143 8 KVEC( 536) = 3 -8 -15 8.2278 16 KVEC( 537) = 0 -9 -11 8.2280 8 KVEC( 538) = 3 -9 -2 8.2283 16 KVEC( 539) = 1 -1 -34 8.2536 8 KVEC( 540) = 1 -4 -31 8.2541 16 KVEC( 541) = 5 -8 -5 8.2563 16 KVEC( 542) = 4 -8 -12 8.2630 16 KVEC( 543) = 6 -7 -9 8.2701 16 KVEC( 544) = 2 -9 -9 8.2701 16 KVEC( 545) = 3 -9 -4 8.2702 16 KVEC( 546) = 6 -6 -16 8.2906 8 KVEC( 547) = 2 -6 -26 8.3035 16 KVEC( 548) = 4 -4 -28 8.3171 8 KVEC( 549) = 0 -3 -33 8.3372 8 KVEC( 550) = 4 -7 -19 8.3389 16 KVEC( 551) = 1 -8 -19 8.3389 16 KVEC( 552) = 5 -8 -7 8.3396 16 KVEC( 553) = 3 -9 -6 8.3396 16 KVEC( 554) = 0 -2 -34 8.3439 8 KVEC( 555) = 2 -8 -18 8.3459 16 KVEC( 556) = 1 -6 -27 8.3518 16 KVEC( 557) = 3 -6 -25 8.3521 16 KVEC( 558) = 1 -9 -12 8.3532 16 KVEC( 559) = 2 -5 -29 8.3792 16 KVEC( 560) = 2 -7 -23 8.3799 16 KVEC( 561) = 5 -7 -16 8.3805 16 KVEC( 562) = 0 -9 -13 8.3945 8 KVEC( 563) = 3 -5 -28 8.4068 16 KVEC( 564) = 5 -5 -24 8.4073 8 KVEC( 565) = 1 -7 -24 8.4073 16 KVEC( 566) = 6 -7 -11 8.4083 16 KVEC( 567) = 2 -9 -11 8.4083 16 KVEC( 568) = 0 -4 -32 8.4268 8 KVEC( 569) = 0 -8 -20 8.4282 8 KVEC( 570) = 5 -6 -21 8.4350 16 KVEC( 571) = 3 -9 -8 8.4358 16 KVEC( 572) = 4 -8 -14 8.4424 16 KVEC( 573) = 0 -1 -35 8.4468 8 KVEC( 574) = 1 -5 -30 8.4476 16 KVEC( 575) = 3 -7 -22 8.4485 16 KVEC( 576) = 3 -8 -17 8.4490 16 KVEC( 577) = 5 -8 -9 8.4495 16 KVEC( 578) = 0 -6 -28 8.4955 8 KVEC( 579) = 4 -6 -24 8.4960 16 KVEC( 580) = 2 -3 -33 8.5151 16 KVEC( 581) = 3 -3 -32 8.5153 8 KVEC( 582) = 2 -2 -34 8.5217 8 KVEC( 583) = 6 -6 -18 8.5236 8 KVEC( 584) = 4 -5 -27 8.5295 16 KVEC( 585) = 0 -7 -25 8.5297 8 KVEC( 586) = 1 -9 -14 8.5307 16 KVEC( 587) = 4 -9 -1 8.5311 16 KVEC( 588) = 3 -9 -10 8.5579 16 KVEC( 589) = 4 -9 -3 8.5581 16 KVEC( 590) = 6 -7 -13 8.5712 16 KVEC( 591) = 2 -9 -13 8.5712 16 KVEC( 592) = 7 -7 0 8.5716 4 KVEC( 593) = 0 -9 -15 8.5845 8 KVEC( 594) = 5 -8 -11 8.5848 16 KVEC( 595) = 7 -7 -2 8.5851 8 KVEC( 596) = 2 -4 -32 8.6029 16 KVEC( 597) = 2 -8 -20 8.6043 16 KVEC( 598) = 1 -3 -34 8.6093 16 KVEC( 599) = 3 -4 -31 8.6097 16 KVEC( 600) = 0 -5 -31 8.6097 8 KVEC( 601) = 4 -7 -21 8.6109 16 KVEC( 602) = 1 -8 -21 8.6109 16 KVEC( 603) = 5 -7 -18 8.6112 16 KVEC( 604) = 4 -9 -5 8.6118 16 KVEC( 605) = 1 -2 -35 8.6225 16 KVEC( 606) = 7 -7 -4 8.6252 8 KVEC( 607) = 0 0 -36 8.6424 2 KVEC( 608) = 4 -8 -16 8.6447 16 KVEC( 609) = 6 -8 0 8.6586 8 KVEC( 610) = 0 -10 0 8.6586 4 KVEC( 611) = 2 -6 -28 8.6702 16 KVEC( 612) = 6 -8 -2 8.6719 16 KVEC( 613) = 0 -10 -2 8.6719 8 KVEC( 614) = 1 -4 -33 8.6894 16 KVEC( 615) = 3 -8 -19 8.6911 16 KVEC( 616) = 4 -9 -7 8.6918 16 KVEC( 617) = 7 -7 -6 8.6918 8 KVEC( 618) = 3 -6 -27 8.7035 16 KVEC( 619) = 2 -7 -25 8.7037 16 KVEC( 620) = 3 -9 -12 8.7048 16 KVEC( 621) = 1 -10 -1 8.7051 16 KVEC( 622) = 4 -4 -30 8.7097 8 KVEC( 623) = 0 -8 -22 8.7107 8 KVEC( 624) = 6 -8 -4 8.7117 16 KVEC( 625) = 0 -10 -4 8.7117 8 KVEC( 626) = 1 -1 -36 8.7287 8 KVEC( 627) = 1 -6 -29 8.7297 16 KVEC( 628) = 5 -6 -23 8.7304 16 KVEC( 629) = 1 -9 -16 8.7310 16 KVEC( 630) = 1 -10 -3 8.7316 16 KVEC( 631) = 5 -5 -26 8.7433 8 KVEC( 632) = 1 -7 -26 8.7433 16 KVEC( 633) = 5 -8 -13 8.7444 16 KVEC( 634) = 3 -7 -24 8.7567 16 KVEC( 635) = 6 -7 -15 8.7575 16 KVEC( 636) = 2 -9 -15 8.7575 16 KVEC( 637) = 6 -6 -20 8.7768 8 KVEC( 638) = 6 -8 -6 8.7776 16 KVEC( 639) = 0 -10 -6 8.7776 8 KVEC( 640) = 2 -5 -31 8.7821 16 KVEC( 641) = 7 -7 -8 8.7841 8 KVEC( 642) = 1 -10 -5 8.7842 16 KVEC( 643) = 0 -3 -35 8.7947 8 KVEC( 644) = 3 -5 -30 8.7954 16 KVEC( 645) = 0 -9 -17 8.7968 8 KVEC( 646) = 4 -9 -9 8.7972 16 KVEC( 647) = 0 -2 -36 8.8142 8 KVEC( 648) = 4 -6 -26 8.8286 16 KVEC( 649) = 2 -10 0 8.8301 8 KVEC( 650) = 2 -10 -2 8.8432 16 KVEC( 651) = 1 -5 -32 8.8605 16 KVEC( 652) = 5 -7 -20 8.8618 16 KVEC( 653) = 1 -10 -7 8.8626 16 KVEC( 654) = 0 -4 -34 8.8667 8 KVEC( 655) = 4 -8 -18 8.8685 16 KVEC( 656) = 6 -8 -8 8.8691 16 KVEC( 657) = 0 -10 -8 8.8691 8 KVEC( 658) = 0 -7 -27 8.8741 8 KVEC( 659) = 3 -9 -14 8.8753 16 KVEC( 660) = 0 -6 -30 8.8802 8 KVEC( 661) = 2 -8 -22 8.8811 16 KVEC( 662) = 2 -10 -4 8.8822 16 KVEC( 663) = 4 -5 -29 8.8998 16 KVEC( 664) = 4 -7 -23 8.9005 16 KVEC( 665) = 1 -8 -23 8.9005 16 KVEC( 666) = 7 -7 -10 8.9014 8 KVEC( 667) = 5 -9 0 8.9146 8 KVEC( 668) = 0 -1 -37 8.9246 8 KVEC( 669) = 5 -8 -15 8.9271 16 KVEC( 670) = 4 -9 -11 8.9273 16 KVEC( 671) = 5 -9 -2 8.9275 16 KVEC( 672) = 2 -10 -6 8.9468 16 KVEC( 673) = 3 -3 -34 8.9508 8 KVEC( 674) = 3 -8 -21 8.9524 16 KVEC( 675) = 1 -9 -18 8.9526 16 KVEC( 676) = 2 -3 -35 8.9636 16 KVEC( 677) = 6 -7 -17 8.9656 16 KVEC( 678) = 2 -9 -17 8.9656 16 KVEC( 679) = 1 -10 -9 8.9660 16 KVEC( 680) = 5 -9 -4 8.9662 16 KVEC( 681) = 2 -2 -36 8.9827 8 KVEC( 682) = 6 -8 -10 8.9853 16 KVEC( 683) = 0 -10 -10 8.9853 8 KVEC( 684) = 0 -8 -24 9.0099 8 KVEC( 685) = 3 -4 -33 9.0280 16 KVEC( 686) = 0 -5 -33 9.0280 8 KVEC( 687) = 0 -9 -19 9.0295 8 KVEC( 688) = 5 -9 -6 9.0302 16 KVEC( 689) = 2 -4 -34 9.0342 16 KVEC( 690) = 2 -10 -8 9.0366 16 KVEC( 691) = 2 -7 -27 9.0415 16 KVEC( 692) = 5 -6 -25 9.0417 16 KVEC( 693) = 7 -7 -12 9.0428 8 KVEC( 694) = 3 -10 -1 9.0431 16 KVEC( 695) = 2 -6 -30 9.0475 16 KVEC( 696) = 6 -6 -22 9.0484 8 KVEC( 697) = 1 -3 -36 9.0658 16 KVEC( 698) = 3 -6 -29 9.0667 16 KVEC( 699) = 3 -9 -16 9.0680 16 KVEC( 700) = 3 -10 -3 9.0685 16 KVEC( 701) = 3 -7 -26 9.0798 16 KVEC( 702) = 4 -9 -13 9.0809 16 KVEC( 703) = 1 -2 -37 9.0910 16 KVEC( 704) = 5 -5 -28 9.0923 8 KVEC( 705) = 1 -7 -28 9.0923 16 KVEC( 706) = 1 -10 -11 9.0937 16 KVEC( 707) = 4 -4 -32 9.1108 8 KVEC( 708) = 4 -8 -20 9.1121 16 KVEC( 709) = 1 -6 -31 9.1172 16 KVEC( 710) = 5 -9 -8 9.1191 16 KVEC( 711) = 3 -10 -5 9.1192 16 KVEC( 712) = 0 0 -38 9.1225 2 KVEC( 713) = 6 -8 -12 9.1253 16 KVEC( 714) = 0 -10 -12 9.1253 8 KVEC( 715) = 1 -4 -35 9.1293 16 KVEC( 716) = 5 -7 -22 9.1309 16 KVEC( 717) = 5 -8 -17 9.1313 16 KVEC( 718) = 2 -10 -10 9.1506 16 KVEC( 719) = 4 -6 -28 9.1744 16 KVEC( 720) = 2 -8 -24 9.1748 16 KVEC( 721) = 2 -5 -33 9.1925 16 KVEC( 722) = 3 -5 -32 9.1927 16 KVEC( 723) = 1 -9 -20 9.1940 16 KVEC( 724) = 6 -7 -19 9.1941 16 KVEC( 725) = 2 -9 -19 9.1941 16 KVEC( 726) = 3 -10 -7 9.1948 16 KVEC( 727) = 1 -1 -38 9.2043 8 KVEC( 728) = 4 -7 -25 9.2061 16 KVEC( 729) = 1 -8 -25 9.2061 16 KVEC( 730) = 7 -7 -14 9.2070 8 KVEC( 731) = 7 -8 -1 9.2074 16 KVEC( 732) = 0 -7 -29 9.2306 8 KVEC( 733) = 3 -8 -23 9.2313 16 KVEC( 734) = 5 -9 -10 9.2322 16 KVEC( 735) = 7 -8 -3 9.2324 16 KVEC( 736) = 1 -10 -13 9.2445 16 KVEC( 737) = 0 -3 -37 9.2545 8 KVEC( 738) = 4 -9 -15 9.2569 16 KVEC( 739) = 0 -6 -32 9.2739 8 KVEC( 740) = 1 -5 -34 9.2798 16 KVEC( 741) = 4 -5 -31 9.2802 16 KVEC( 742) = 0 -9 -21 9.2813 8 KVEC( 743) = 3 -9 -18 9.2816 16 KVEC( 744) = 7 -8 -5 9.2822 16 KVEC( 745) = 0 -2 -38 9.2854 8 KVEC( 746) = 6 -8 -14 9.2880 16 KVEC( 747) = 0 -10 -14 9.2880 8 KVEC( 748) = 2 -10 -12 9.2882 16 KVEC( 749) = 3 -10 -9 9.2945 16 KVEC( 750) = 0 -4 -36 9.3105 8 KVEC( 751) = 0 -8 -26 9.3242 8 KVEC( 752) = 4 -10 0 9.3256 8 KVEC( 753) = 6 -6 -24 9.3368 8 KVEC( 754) = 4 -10 -2 9.3380 16 KVEC( 755) = 5 -8 -19 9.3558 16 KVEC( 756) = 7 -8 -7 9.3564 16 KVEC( 757) = 5 -6 -27 9.3673 16 KVEC( 758) = 5 -9 -12 9.3685 16 KVEC( 759) = 6 -9 -1 9.3688 16 KVEC( 760) = 4 -8 -22 9.3740 16 KVEC( 761) = 4 -10 -4 9.3749 16 KVEC( 762) = 3 -3 -36 9.3907 8 KVEC( 763) = 2 -7 -29 9.3917 16 KVEC( 764) = 7 -7 -16 9.3929 8 KVEC( 765) = 6 -9 -3 9.3934 16 KVEC( 766) = 0 -1 -39 9.4025 8 KVEC( 767) = 2 -3 -37 9.4151 16 KVEC( 768) = 3 -7 -28 9.4163 16 KVEC( 769) = 5 -7 -24 9.4168 16 KVEC( 770) = 1 -10 -15 9.4175 16 KVEC( 771) = 3 -10 -11 9.4177 16 KVEC( 772) = 2 -6 -32 9.4342 16 KVEC( 773) = 4 -10 -6 9.4362 16 KVEC( 774) = 3 -6 -31 9.4404 16 KVEC( 775) = 6 -7 -21 9.4415 16 KVEC( 776) = 2 -9 -21 9.4415 16 KVEC( 777) = 6 -9 -5 9.4424 16 KVEC( 778) = 2 -2 -38 9.4455 8 KVEC( 779) = 2 -10 -14 9.4481 16 KVEC( 780) = 3 -4 -35 9.4521 16 KVEC( 781) = 0 -5 -35 9.4521 8 KVEC( 782) = 5 -5 -30 9.4528 8 KVEC( 783) = 1 -7 -30 9.4528 16 KVEC( 784) = 1 -9 -22 9.4536 16 KVEC( 785) = 4 -9 -17 9.4540 16 KVEC( 786) = 7 -8 -9 9.4544 16 KVEC( 787) = 2 -4 -36 9.4702 16 KVEC( 788) = 6 -8 -16 9.4724 16 KVEC( 789) = 0 -10 -16 9.4724 8 KVEC( 790) = 2 -8 -26 9.4837 16 KVEC( 791) = 1 -6 -33 9.5132 16 KVEC( 792) = 3 -9 -20 9.5146 16 KVEC( 793) = 6 -9 -7 9.5153 16 KVEC( 794) = 4 -4 -34 9.5191 8 KVEC( 795) = 4 -10 -8 9.5213 16 KVEC( 796) = 1 -3 -38 9.5246 16 KVEC( 797) = 4 -7 -27 9.5260 16 KVEC( 798) = 1 -8 -27 9.5260 16 KVEC( 799) = 3 -8 -25 9.5263 16 KVEC( 800) = 5 -9 -14 9.5271 16 KVEC( 801) = 0 -11 -1 9.5275 8 KVEC( 802) = 4 -6 -30 9.5317 16 KVEC( 803) = 0 -9 -23 9.5506 8 KVEC( 804) = 0 -11 -3 9.5517 8 KVEC( 805) = 1 -2 -39 9.5607 16 KVEC( 806) = 3 -10 -13 9.5634 16 KVEC( 807) = 1 -11 0 9.5638 8 KVEC( 808) = 1 -4 -37 9.5730 16 KVEC( 809) = 7 -8 -11 9.5756 16 KVEC( 810) = 1 -11 -2 9.5758 16 KVEC( 811) = 3 -5 -34 9.5975 16 KVEC( 812) = 0 -7 -31 9.5979 8 KVEC( 813) = 5 -8 -21 9.5990 16 KVEC( 814) = 7 -7 -18 9.5992 8 KVEC( 815) = 0 -11 -5 9.5998 8 KVEC( 816) = 0 0 -40 9.6026 2 KVEC( 817) = 2 -5 -35 9.6094 16 KVEC( 818) = 1 -10 -17 9.6113 16 KVEC( 819) = 6 -9 -9 9.6117 16 KVEC( 820) = 1 -11 -4 9.6119 16 KVEC( 821) = 2 -10 -16 9.6294 16 KVEC( 822) = 4 -10 -10 9.6297 16 KVEC( 823) = 6 -6 -26 9.6405 8 KVEC( 824) = 0 -8 -28 9.6522 8 KVEC( 825) = 4 -8 -24 9.6526 16 KVEC( 826) = 4 -5 -33 9.6695 16 KVEC( 827) = 4 -9 -19 9.6710 16 KVEC( 828) = 0 -11 -7 9.6716 8 KVEC( 829) = 1 -11 -6 9.6716 16 KVEC( 830) = 0 -6 -34 9.6753 8 KVEC( 831) = 6 -8 -18 9.6770 16 KVEC( 832) = 0 -10 -18 9.6770 8 KVEC( 833) = 1 -1 -40 9.6804 8 KVEC( 834) = 5 -10 -1 9.6836 16 KVEC( 835) = 2 -11 -1 9.6836 16 KVEC( 836) = 1 -5 -36 9.7048 16 KVEC( 837) = 5 -6 -29 9.7057 16 KVEC( 838) = 6 -7 -23 9.7064 16 KVEC( 839) = 2 -9 -23 9.7064 16 KVEC( 840) = 5 -9 -16 9.7069 16 KVEC( 841) = 5 -10 -3 9.7074 16 KVEC( 842) = 2 -11 -3 9.7074 16 KVEC( 843) = 0 -3 -39 9.7162 8 KVEC( 844) = 5 -7 -26 9.7179 16 KVEC( 845) = 7 -8 -13 9.7190 16 KVEC( 846) = 1 -9 -24 9.7300 16 KVEC( 847) = 3 -10 -15 9.7307 16 KVEC( 848) = 6 -9 -11 9.7309 16 KVEC( 849) = 2 -7 -31 9.7529 16 KVEC( 850) = 1 -11 -8 9.7547 16 KVEC( 851) = 5 -10 -5 9.7548 16 KVEC( 852) = 2 -11 -5 9.7548 16 KVEC( 853) = 0 -2 -40 9.7575 8 KVEC( 854) = 0 -4 -38 9.7579 8 KVEC( 855) = 4 -10 -12 9.7605 16 KVEC( 856) = 3 -7 -30 9.7649 16 KVEC( 857) = 3 -9 -22 9.7657 16 KVEC( 858) = 0 -11 -9 9.7665 8 KVEC( 859) = 8 -8 0 9.7961 4 KVEC( 860) = 2 -8 -28 9.8063 16 KVEC( 861) = 8 -8 -2 9.8079 8 KVEC( 862) = 3 -6 -33 9.8234 16 KVEC( 863) = 5 -5 -32 9.8235 8 KVEC( 864) = 1 -7 -32 9.8235 16 KVEC( 865) = 7 -7 -20 9.8247 8 KVEC( 866) = 1 -10 -19 9.8248 16 KVEC( 867) = 5 -10 -7 9.8254 16 KVEC( 868) = 2 -11 -7 9.8254 16 KVEC( 869) = 2 -6 -34 9.8291 16 KVEC( 870) = 2 -10 -18 9.8307 16 KVEC( 871) = 3 -3 -38 9.8344 8 KVEC( 872) = 3 -8 -27 9.8358 16 KVEC( 873) = 0 -9 -25 9.8360 8 KVEC( 874) = 8 -8 -4 9.8431 8 KVEC( 875) = 4 -7 -29 9.8590 16 KVEC( 876) = 1 -8 -29 9.8590 16 KVEC( 877) = 5 -8 -23 9.8596 16 KVEC( 878) = 1 -11 -10 9.8605 16 KVEC( 879) = 2 -3 -39 9.8694 16 KVEC( 880) = 6 -9 -13 9.8720 16 KVEC( 881) = 7 -9 0 9.8724 8 KVEC( 882) = 3 -11 0 9.8724 8 KVEC( 883) = 0 -1 -41 9.8807 8 KVEC( 884) = 3 -4 -37 9.8813 16 KVEC( 885) = 0 -5 -37 9.8813 8 KVEC( 886) = 7 -8 -15 9.8836 16 KVEC( 887) = 0 -11 -11 9.8838 8 KVEC( 888) = 7 -9 -2 9.8840 16 KVEC( 889) = 3 -11 -2 9.8840 16 KVEC( 890) = 4 -6 -32 9.8995 16 KVEC( 891) = 6 -8 -20 9.9007 16 KVEC( 892) = 0 -10 -20 9.9007 8 KVEC( 893) = 8 -8 -6 9.9015 8 KVEC( 894) = 4 -9 -21 9.9065 16 KVEC( 895) = 5 -9 -18 9.9067 16 KVEC( 896) = 2 -2 -40 9.9100 8 KVEC( 897) = 2 -4 -38 9.9103 16 KVEC( 898) = 4 -10 -14 9.9128 16 KVEC( 899) = 1 -6 -35 9.9166 16 KVEC( 900) = 3 -10 -17 9.9184 16 KVEC( 901) = 5 -10 -9 9.9188 16 KVEC( 902) = 2 -11 -9 9.9188 16 KVEC( 903) = 7 -9 -4 9.9190 16 KVEC( 904) = 3 -11 -4 9.9190 16 KVEC( 905) = 4 -4 -36 9.9339 8 KVEC( 906) = 4 -8 -26 9.9467 16 KVEC( 907) = 6 -6 -28 9.9581 8 KVEC( 908) = 0 -7 -33 9.9748 8 KVEC( 909) = 7 -9 -6 9.9769 16 KVEC( 910) = 3 -11 -6 9.9769 16 KVEC( 911) = 8 -8 -8 9.9826 8 KVEC( 912) = 1 -3 -40 9.9854 16 KVEC( 913) = 6 -7 -25 9.9873 16 KVEC( 914) = 2 -9 -25 9.9873 16 KVEC( 915) = 1 -11 -12 9.9882 16 KVEC( 916) = 0 -8 -30 9.9925 8 KVEC( 917) = 3 -5 -36 10.0091 16 KVEC( 918) = 1 -4 -39 10.0201 16 KVEC( 919) = 1 -9 -26 10.0218 16 KVEC( 920) = 0 -11 -13 10.0228 8 KVEC( 921) = 1 -2 -41 10.0313 16 KVEC( 922) = 2 -5 -37 10.0319 16 KVEC( 923) = 5 -7 -28 10.0331 16 KVEC( 924) = 3 -9 -24 10.0335 16 KVEC( 925) = 6 -9 -15 10.0342 16 KVEC( 926) = 5 -10 -11 10.0344 16 KVEC( 927) = 2 -11 -11 10.0344 16 KVEC( 928) = 2 -10 -20 10.0511 16 KVEC( 929) = 5 -6 -31 10.0557 16 KVEC( 930) = 1 -10 -21 10.0567 16 KVEC( 931) = 7 -9 -8 10.0574 16 KVEC( 932) = 3 -11 -8 10.0574 16 KVEC( 933) = 4 -5 -35 10.0667 16 KVEC( 934) = 7 -7 -22 10.0681 8 KVEC( 935) = 7 -8 -17 10.0685 16 KVEC( 936) = 0 0 -42 10.0828 2 KVEC( 937) = 0 -6 -36 10.0837 8 KVEC( 938) = 4 -10 -16 10.0857 16 KVEC( 939) = 8 -8 -10 10.0860 8 KVEC( 940) = 6 -10 0 10.0976 8 KVEC( 941) = 6 -10 -2 10.1090 16 KVEC( 942) = 2 -7 -33 10.1240 16 KVEC( 943) = 3 -7 -32 10.1242 16 KVEC( 944) = 5 -9 -20 10.1254 16 KVEC( 945) = 3 -10 -19 10.1254 16 KVEC( 946) = 1 -5 -38 10.1347 16 KVEC( 947) = 0 -9 -27 10.1361 8 KVEC( 948) = 5 -8 -25 10.1363 16 KVEC( 949) = 1 -11 -14 10.1371 16 KVEC( 950) = 4 -11 -1 10.1375 16 KVEC( 951) = 2 -8 -30 10.1415 16 KVEC( 952) = 6 -8 -22 10.1423 16 KVEC( 953) = 0 -10 -22 10.1423 8 KVEC( 954) = 6 -10 -4 10.1432 16 KVEC( 955) = 1 -1 -42 10.1569 8 KVEC( 956) = 3 -8 -29 10.1586 16 KVEC( 957) = 4 -9 -23 10.1592 16 KVEC( 958) = 7 -9 -10 10.1601 16 KVEC( 959) = 3 -11 -10 10.1601 16 KVEC( 960) = 4 -11 -3 10.1602 16 KVEC( 961) = 5 -10 -13 10.1713 16 KVEC( 962) = 2 -11 -13 10.1713 16 KVEC( 963) = 0 -3 -41 10.1797 8 KVEC( 964) = 0 -11 -15 10.1825 8 KVEC( 965) = 6 -10 -6 10.1998 16 KVEC( 966) = 5 -5 -34 10.2034 8 KVEC( 967) = 1 -7 -34 10.2034 16 KVEC( 968) = 4 -7 -31 10.2037 16 KVEC( 969) = 1 -8 -31 10.2037 16 KVEC( 970) = 4 -11 -5 10.2055 16 KVEC( 971) = 0 -4 -40 10.2082 8 KVEC( 972) = 8 -8 -12 10.2109 8 KVEC( 973) = 3 -6 -35 10.2145 16 KVEC( 974) = 6 -9 -17 10.2163 16 KVEC( 975) = 0 -2 -42 10.2304 8 KVEC( 976) = 2 -6 -36 10.2313 16 KVEC( 977) = 4 -8 -28 10.2548 16 KVEC( 978) = 7 -8 -19 10.2725 16 KVEC( 979) = 4 -11 -7 10.2731 16 KVEC( 980) = 4 -6 -34 10.2766 16 KVEC( 981) = 4 -10 -18 10.2781 16 KVEC( 982) = 6 -10 -8 10.2786 16 KVEC( 983) = 3 -3 -40 10.2813 8 KVEC( 984) = 6 -7 -27 10.2830 16 KVEC( 985) = 2 -9 -27 10.2830 16 KVEC( 986) = 7 -9 -12 10.2841 16 KVEC( 987) = 3 -11 -12 10.2841 16 KVEC( 988) = 6 -6 -30 10.2883 8 KVEC( 989) = 2 -10 -22 10.2891 16 KVEC( 990) = 1 -10 -23 10.3058 16 KVEC( 991) = 1 -11 -16 10.3063 16 KVEC( 992) = 3 -4 -39 10.3151 16 KVEC( 993) = 0 -5 -39 10.3151 8 KVEC( 994) = 3 -9 -26 10.3167 16 KVEC( 995) = 2 -3 -41 10.3260 16 KVEC( 996) = 1 -6 -37 10.3265 16 KVEC( 997) = 1 -9 -28 10.3277 16 KVEC( 998) = 7 -7 -24 10.3280 8 KVEC( 999) = 5 -10 -15 10.3287 16 KVEC( 1000) = 2 -11 -15 10.3287 16 KVEC( 1001) = 0 -8 -32 10.3439 8 KVEC( 1002) = 3 -10 -21 10.3506 16 KVEC( 1003) = 2 -4 -40 10.3540 16 KVEC( 1004) = 4 -4 -38 10.3543 8 KVEC( 1005) = 8 -8 -14 10.3566 8 KVEC( 1006) = 0 -1 -43 10.3591 8 KVEC( 1007) = 0 -7 -35 10.3603 8 KVEC( 1008) = 5 -7 -30 10.3609 16 KVEC( 1009) = 5 -9 -22 10.3617 16 KVEC( 1010) = 0 -11 -17 10.3620 8 KVEC( 1011) = 4 -11 -9 10.3624 16 KVEC( 1012) = 2 -2 -42 10.3759 8 KVEC( 1013) = 6 -10 -10 10.3791 16 KVEC( 1014) = 0 -12 0 10.3904 4 KVEC( 1015) = 6 -8 -24 10.4004 16 KVEC( 1016) = 0 -10 -24 10.4004 8 KVEC( 1017) = 0 -12 -2 10.4015 8 KVEC( 1018) = 5 -6 -33 10.4160 16 KVEC( 1019) = 6 -9 -19 10.4174 16 KVEC( 1020) = 3 -5 -38 10.4264 16 KVEC( 1021) = 5 -8 -27 10.4278 16 KVEC( 1022) = 4 -9 -25 10.4280 16 KVEC( 1023) = 7 -9 -14 10.4288 16 KVEC( 1024) = 3 -11 -14 10.4288 16 KVEC( 1025) = 8 -9 -1 10.4291 16 KVEC( 1026) = 1 -12 -1 10.4291 16 KVEC( 1027) = 0 -12 -4 10.4346 8 KVEC( 1028) = 1 -3 -42 10.4480 16 KVEC( 1029) = 0 -9 -29 10.4497 8 KVEC( 1030) = 8 -9 -3 10.4512 16 KVEC( 1031) = 1 -12 -3 10.4512 16 KVEC( 1032) = 2 -5 -39 10.4594 16 KVEC( 1033) = 5 -11 0 10.4623 8 KVEC( 1034) = 1 -4 -41 10.4702 16 KVEC( 1035) = 4 -5 -37 10.4707 16 KVEC( 1036) = 4 -11 -11 10.4731 16 KVEC( 1037) = 5 -11 -2 10.4733 16 KVEC( 1038) = 2 -8 -32 10.4879 16 KVEC( 1039) = 4 -10 -20 10.4891 16 KVEC( 1040) = 0 -12 -6 10.4897 8 KVEC( 1041) = 3 -7 -34 10.4931 16 KVEC( 1042) = 3 -8 -31 10.4935 16 KVEC( 1043) = 7 -8 -21 10.4945 16 KVEC( 1044) = 1 -11 -18 10.4947 16 KVEC( 1045) = 8 -9 -5 10.4952 16 KVEC( 1046) = 1 -12 -5 10.4952 16 KVEC( 1047) = 0 -6 -38 10.4981 8 KVEC( 1048) = 6 -10 -12 10.5005 16 KVEC( 1049) = 1 -2 -43 10.5028 16 KVEC( 1050) = 2 -7 -35 10.5040 16 KVEC( 1051) = 5 -10 -17 10.5057 16 KVEC( 1052) = 2 -11 -17 10.5057 16 KVEC( 1053) = 5 -11 -4 10.5062 16 KVEC( 1054) = 8 -8 -16 10.5223 8 KVEC( 1055) = 2 -12 0 10.5337 8 KVEC( 1056) = 2 -10 -24 10.5436 16 KVEC( 1057) = 2 -12 -2 10.5446 16 KVEC( 1058) = 4 -7 -33 10.5590 16 KVEC( 1059) = 1 -8 -33 10.5590 16 KVEC( 1060) = 0 -11 -19 10.5604 8 KVEC( 1061) = 8 -9 -7 10.5609 16 KVEC( 1062) = 1 -12 -7 10.5609 16 KVEC( 1063) = 5 -11 -6 10.5610 16 KVEC( 1064) = 0 0 -44 10.5629 2 KVEC( 1065) = 0 -12 -8 10.5664 8 KVEC( 1066) = 1 -5 -40 10.5690 16 KVEC( 1067) = 1 -10 -25 10.5708 16 KVEC( 1068) = 7 -10 -1 10.5719 16 KVEC( 1069) = 4 -8 -30 10.5757 16 KVEC( 1070) = 2 -12 -4 10.5774 16 KVEC( 1071) = 5 -5 -36 10.5914 8 KVEC( 1072) = 1 -7 -36 10.5914 16 KVEC( 1073) = 6 -7 -29 10.5922 16 KVEC( 1074) = 2 -9 -29 10.5922 16 KVEC( 1075) = 3 -10 -23 10.5928 16 KVEC( 1076) = 7 -9 -16 10.5933 16 KVEC( 1077) = 3 -11 -16 10.5933 16 KVEC( 1078) = 7 -10 -3 10.5937 16 KVEC( 1079) = 7 -7 -26 10.6034 8 KVEC( 1080) = 4 -11 -13 10.6043 16 KVEC( 1081) = 3 -6 -37 10.6130 16 KVEC( 1082) = 3 -9 -28 10.6141 16 KVEC( 1083) = 5 -9 -24 10.6144 16 KVEC( 1084) = 6 -6 -32 10.6299 8 KVEC( 1085) = 2 -12 -6 10.6317 16 KVEC( 1086) = 1 -1 -44 10.6337 8 KVEC( 1087) = 6 -9 -21 10.6364 16 KVEC( 1088) = 5 -11 -8 10.6371 16 KVEC( 1089) = 7 -10 -5 10.6372 16 KVEC( 1090) = 2 -6 -38 10.6400 16 KVEC( 1091) = 6 -10 -14 10.6423 16 KVEC( 1092) = 0 -3 -43 10.6447 8 KVEC( 1093) = 1 -9 -30 10.6464 16 KVEC( 1094) = 8 -9 -9 10.6479 16 KVEC( 1095) = 1 -12 -9 10.6479 16 KVEC( 1096) = 0 -4 -42 10.6611 8 KVEC( 1097) = 4 -6 -36 10.6619 16 KVEC( 1098) = 0 -12 -10 10.6641 8 KVEC( 1099) = 6 -8 -26 10.6739 16 KVEC( 1100) = 0 -10 -26 10.6739 8 KVEC( 1101) = 5 -7 -32 10.7002 16 KVEC( 1102) = 1 -11 -20 10.7013 16 KVEC( 1103) = 5 -10 -19 10.7014 16 KVEC( 1104) = 2 -11 -19 10.7014 16 KVEC( 1105) = 7 -10 -7 10.7020 16 KVEC( 1106) = 0 -2 -44 10.7039 8 KVEC( 1107) = 0 -8 -34 10.7053 8 KVEC( 1108) = 8 -8 -18 10.7069 8 KVEC( 1109) = 2 -12 -8 10.7073 16 KVEC( 1110) = 4 -9 -27 10.7115 16 KVEC( 1111) = 3 -12 -1 10.7128 16 KVEC( 1112) = 4 -10 -22 10.7173 16 KVEC( 1113) = 3 -3 -42 10.7311 8 KVEC( 1114) = 5 -8 -29 10.7328 16 KVEC( 1115) = 7 -8 -23 10.7334 16 KVEC( 1116) = 5 -11 -10 10.7342 16 KVEC( 1117) = 3 -12 -3 10.7343 16 KVEC( 1118) = 1 -6 -39 10.7423 16 KVEC( 1119) = 3 -4 -41 10.7528 16 KVEC( 1120) = 0 -5 -41 10.7528 8 KVEC( 1121) = 0 -7 -37 10.7533 8 KVEC( 1122) = 4 -11 -15 10.7554 16 KVEC( 1123) = 8 -9 -11 10.7556 16 KVEC( 1124) = 1 -12 -11 10.7556 16 KVEC( 1125) = 0 -9 -31 10.7755 8 KVEC( 1126) = 0 -11 -21 10.7764 8 KVEC( 1127) = 7 -9 -18 10.7767 16 KVEC( 1128) = 3 -11 -18 10.7767 16 KVEC( 1129) = 3 -12 -5 10.7772 16 KVEC( 1130) = 4 -4 -40 10.7797 8 KVEC( 1131) = 0 -12 -12 10.7823 8 KVEC( 1132) = 2 -3 -43 10.7846 16 KVEC( 1133) = 5 -6 -35 10.7857 16 KVEC( 1134) = 7 -10 -9 10.7878 16 KVEC( 1135) = 2 -4 -42 10.8008 16 KVEC( 1136) = 6 -10 -16 10.8035 16 KVEC( 1137) = 2 -12 -10 10.8038 16 KVEC( 1138) = 2 -10 -26 10.8134 16 KVEC( 1139) = 0 -1 -45 10.8376 8 KVEC( 1140) = 3 -8 -33 10.8393 16 KVEC( 1141) = 3 -12 -7 10.8412 16 KVEC( 1142) = 2 -2 -44 10.8431 8 KVEC( 1143) = 2 -8 -34 10.8445 16 KVEC( 1144) = 3 -5 -40 10.8490 16 KVEC( 1145) = 1 -10 -27 10.8506 16 KVEC( 1146) = 3 -10 -25 10.8508 16 KVEC( 1147) = 5 -11 -12 10.8516 16 KVEC( 1148) = 6 -11 -1 10.8519 16 KVEC( 1149) = 3 -7 -36 10.8708 16 KVEC( 1150) = 6 -9 -23 10.8722 16 KVEC( 1151) = 6 -11 -3 10.8731 16 KVEC( 1152) = 4 -5 -39 10.8810 16 KVEC( 1153) = 5 -9 -26 10.8825 16 KVEC( 1154) = 8 -9 -13 10.8834 16 KVEC( 1155) = 1 -12 -13 10.8834 16 KVEC( 1156) = 2 -5 -41 10.8913 16 KVEC( 1157) = 2 -7 -37 10.8919 16 KVEC( 1158) = 7 -7 -28 10.8929 8 KVEC( 1159) = 7 -10 -11 10.8941 16 KVEC( 1160) = 4 -8 -32 10.9084 16 KVEC( 1161) = 8 -8 -20 10.9095 8 KVEC( 1162) = 1 -3 -44 10.9120 16 KVEC( 1163) = 6 -7 -31 10.9138 16 KVEC( 1164) = 2 -9 -31 10.9138 16 KVEC( 1165) = 5 -10 -21 10.9147 16 KVEC( 1166) = 2 -11 -21 10.9147 16 KVEC( 1167) = 6 -11 -5 10.9154 16 KVEC( 1168) = 0 -6 -40 10.9179 8 KVEC( 1169) = 0 -12 -14 10.9204 8 KVEC( 1170) = 2 -12 -12 10.9205 16 KVEC( 1171) = 1 -4 -43 10.9227 16 KVEC( 1172) = 4 -7 -35 10.9239 16 KVEC( 1173) = 1 -8 -35 10.9239 16 KVEC( 1174) = 3 -9 -30 10.9244 16 KVEC( 1175) = 1 -11 -22 10.9252 16 KVEC( 1176) = 4 -11 -17 10.9255 16 KVEC( 1177) = 3 -12 -9 10.9259 16 KVEC( 1178) = 4 -12 0 10.9524 8 KVEC( 1179) = 6 -8 -28 10.9615 16 KVEC( 1180) = 0 -10 -28 10.9615 8 KVEC( 1181) = 4 -10 -24 10.9619 16 KVEC( 1182) = 4 -12 -2 10.9629 16 KVEC( 1183) = 1 -2 -45 10.9751 16 KVEC( 1184) = 1 -9 -32 10.9769 16 KVEC( 1185) = 7 -9 -20 10.9780 16 KVEC( 1186) = 3 -11 -20 10.9780 16 KVEC( 1187) = 6 -11 -7 10.9786 16 KVEC( 1188) = 6 -6 -34 10.9819 8 KVEC( 1189) = 6 -10 -18 10.9834 16 KVEC( 1190) = 5 -5 -38 10.9866 8 KVEC( 1191) = 1 -7 -38 10.9866 16 KVEC( 1192) = 7 -8 -25 10.9881 16 KVEC( 1193) = 5 -11 -14 10.9889 16 KVEC( 1194) = 4 -12 -4 10.9944 16 KVEC( 1195) = 1 -5 -42 11.0071 16 KVEC( 1196) = 4 -9 -29 11.0087 16 KVEC( 1197) = 0 -11 -23 11.0092 8 KVEC( 1198) = 3 -6 -39 11.0180 16 KVEC( 1199) = 7 -10 -13 11.0203 16 KVEC( 1200) = 9 -9 0 11.0206 4 KVEC( 1201) = 8 -9 -15 11.0307 16 KVEC( 1202) = 1 -12 -15 11.0307 16 KVEC( 1203) = 3 -12 -11 11.0309 16 KVEC( 1204) = 9 -9 -2 11.0311 8 KVEC( 1205) = 0 0 -46 11.0430 2 KVEC( 1206) = 4 -12 -6 11.0467 16 KVEC( 1207) = 5 -7 -34 11.0500 16 KVEC( 1208) = 5 -8 -31 11.0503 16 KVEC( 1209) = 2 -6 -40 11.0544 16 KVEC( 1210) = 4 -6 -38 11.0547 16 KVEC( 1211) = 2 -12 -14 11.0569 16 KVEC( 1212) = 6 -11 -9 11.0623 16 KVEC( 1213) = 9 -9 -4 11.0624 8 KVEC( 1214) = 0 -8 -36 11.0758 8 KVEC( 1215) = 0 -12 -16 11.0776 8 KVEC( 1216) = 8 -10 0 11.0885 8 KVEC( 1217) = 2 -10 -28 11.0975 16 KVEC( 1218) = 8 -10 -2 11.0989 16 KVEC( 1219) = 1 -1 -46 11.1107 8 KVEC( 1220) = 0 -3 -45 11.1109 8 KVEC( 1221) = 0 -9 -33 11.1125 8 KVEC( 1222) = 4 -11 -19 11.1138 16 KVEC( 1223) = 9 -9 -6 11.1144 8 KVEC( 1224) = 0 -4 -44 11.1162 8 KVEC( 1225) = 4 -12 -8 11.1195 16 KVEC( 1226) = 3 -10 -27 11.1235 16 KVEC( 1227) = 6 -9 -25 11.1237 16 KVEC( 1228) = 8 -8 -22 11.1291 8 KVEC( 1229) = 8 -10 -4 11.1300 16 KVEC( 1230) = 1 -10 -29 11.1441 16 KVEC( 1231) = 5 -10 -23 11.1446 16 KVEC( 1232) = 2 -11 -23 11.1446 16 KVEC( 1233) = 5 -11 -16 11.1451 16 KVEC( 1234) = 0 -7 -39 11.1532 8 KVEC( 1235) = 3 -12 -13 11.1556 16 KVEC( 1236) = 1 -6 -41 11.1633 16 KVEC( 1237) = 5 -6 -37 11.1638 16 KVEC( 1238) = 5 -9 -28 11.1648 16 KVEC( 1239) = 1 -11 -24 11.1652 16 KVEC( 1240) = 7 -10 -15 11.1658 16 KVEC( 1241) = 6 -11 -11 11.1660 16 KVEC( 1242) = 0 -2 -46 11.1780 8 KVEC( 1243) = 6 -10 -20 11.1810 16 KVEC( 1244) = 8 -10 -6 11.1816 16 KVEC( 1245) = -3 -3 -44 11.1835 8 KVEC( 1246) = 9 -9 -8 11.1867 8 KVEC( 1247) = 0 -5 -43 11.1939 8 KVEC( 1248) = -3 -4 -43 11.1939 16 KVEC( 1249) = 3 -8 -35 11.1950 16 KVEC( 1250) = 7 -7 -30 11.1956 8 KVEC( 1251) = 7 -9 -22 11.1963 16 KVEC( 1252) = 3 -11 -22 11.1963 16 KVEC( 1253) = 8 -9 -17 11.1967 16 KVEC( 1254) = 1 -12 -17 11.1967 16 KVEC( 1255) = -4 -4 -42 11.2095 8 KVEC( 1256) = 2 -8 -36 11.2103 16 KVEC( 1257) = 2 -12 -16 11.2122 16 KVEC( 1258) = 4 -12 -10 11.2124 16 KVEC( 1259) = 4 -10 -26 11.2217 16 KVEC( 1260) = -2 -3 -45 11.2450 16 KVEC( 1261) = 6 -7 -33 11.2467 16 KVEC( 1262) = 2 -9 -33 11.2467 16 KVEC( 1263) = 3 -9 -32 11.2468 16 KVEC( 1264) = -2 -4 -44 11.2503 16 KVEC( 1265) = 4 -8 -34 11.2517 16 KVEC( 1266) = 0 -12 -18 11.2531 8 KVEC( 1267) = 8 -10 -8 11.2536 16 KVEC( 1268) = 3 -7 -38 11.2563 16 KVEC( 1269) = 7 -8 -27 11.2575 16 KVEC( 1270) = 0 -11 -25 11.2577 8 KVEC( 1271) = 5 -12 -1 11.2588 16 KVEC( 1272) = 0 -13 -1 11.2588 8 KVEC( 1273) = 6 -8 -30 11.2624 16 KVEC( 1274) = 0 -10 -30 11.2624 8 KVEC( 1275) = -3 -5 -42 11.2762 16 KVEC( 1276) = 9 -9 -10 11.2791 8 KVEC( 1277) = 5 -12 -3 11.2792 16 KVEC( 1278) = 0 -13 -3 11.2792 8 KVEC( 1279) = 2 -7 -39 11.2869 16 KVEC( 1280) = 6 -11 -13 11.2892 16 KVEC( 1281) = 7 -11 0 11.2895 8 KVEC( 1282) = 1 -13 0 11.2895 8 KVEC( 1283) = -4 -5 -41 11.2968 16 KVEC( 1284) = 4 -7 -37 11.2973 16 KVEC( 1285) = 1 -8 -37 11.2973 16 KVEC( 1286) = 3 -12 -15 11.2993 16 KVEC( 1287) = 7 -11 -2 11.2997 16 KVEC( 1288) = 1 -13 -2 11.2997 16 KVEC( 1289) = -2 -2 -46 11.3113 8 KVEC( 1290) = 0 -1 -47 11.3163 8 KVEC( 1291) = 1 -9 -34 11.3181 16 KVEC( 1292) = 4 -9 -31 11.3184 16 KVEC( 1293) = 4 -11 -21 11.3193 16 KVEC( 1294) = 5 -11 -18 11.3195 16 KVEC( 1295) = 5 -12 -5 11.3200 16 KVEC( 1296) = 0 -13 -5 11.3200 8 KVEC( 1297) = 4 -12 -12 11.3249 16 KVEC( 1298) = -2 -5 -43 11.3271 16 KVEC( 1299) = 7 -10 -17 11.3298 16 KVEC( 1300) = 7 -11 -4 11.3302 16 KVEC( 1301) = 1 -13 -4 11.3302 16 KVEC( 1302) = 0 -6 -42 11.3425 8 KVEC( 1303) = 6 -6 -36 11.3433 8 KVEC( 1304) = 8 -10 -10 11.3454 16 KVEC( 1305) = 8 -8 -24 11.3649 8 KVEC( 1306) = -1 -3 -46 11.3774 16 KVEC( 1307) = -1 -4 -45 11.3776 16 KVEC( 1308) = 5 -8 -33 11.3792 16 KVEC( 1309) = 8 -9 -19 11.3804 16 KVEC( 1310) = 1 -12 -19 11.3804 16 KVEC( 1311) = 5 -12 -7 11.3810 16 KVEC( 1312) = 0 -13 -7 11.3810 8 KVEC( 1313) = 7 -11 -6 11.3810 16 KVEC( 1314) = 1 -13 -6 11.3810 16 KVEC( 1315) = 2 -12 -18 11.3856 16 KVEC( 1316) = 1 -7 -40 11.3885 16 KVEC( 1317) = -5 -5 -40 11.3885 8 KVEC( 1318) = 6 -9 -27 11.3899 16 KVEC( 1319) = 5 -10 -25 11.3901 16 KVEC( 1320) = 2 -11 -25 11.3901 16 KVEC( 1321) = 9 -9 -12 11.3909 8 KVEC( 1322) = 2 -13 -1 11.3912 16 KVEC( 1323) = 2 -10 -30 11.3947 16 KVEC( 1324) = 6 -10 -22 11.3954 16 KVEC( 1325) = 5 -7 -36 11.4092 16 KVEC( 1326) = 3 -10 -29 11.4100 16 KVEC( 1327) = 2 -13 -3 11.4114 16 KVEC( 1328) = 1 -11 -26 11.4204 16 KVEC( 1329) = -3 -6 -41 11.4288 16 KVEC( 1330) = 7 -9 -24 11.4306 16 KVEC( 1331) = 3 -11 -24 11.4306 16 KVEC( 1332) = 6 -11 -15 11.4312 16 KVEC( 1333) = 0 -12 -20 11.4461 8 KVEC( 1334) = -1 -2 -47 11.4480 16 KVEC( 1335) = -1 -5 -44 11.4485 16 KVEC( 1336) = 1 -10 -31 11.4501 16 KVEC( 1337) = 7 -11 -8 11.4517 16 KVEC( 1338) = 1 -13 -8 11.4517 16 KVEC( 1339) = 2 -13 -5 11.4517 16 KVEC( 1340) = -4 -6 -40 11.4541 16 KVEC( 1341) = 0 -8 -38 11.4544 8 KVEC( 1342) = 4 -12 -14 11.4565 16 KVEC( 1343) = 8 -10 -12 11.4566 16 KVEC( 1344) = 0 -9 -35 11.4598 8 KVEC( 1345) = 5 -9 -30 11.4603 16 KVEC( 1346) = 3 -12 -17 11.4614 16 KVEC( 1347) = 5 -12 -9 11.4617 16 KVEC( 1348) = 0 -13 -9 11.4617 8 KVEC( 1349) = -2 -6 -42 11.4739 16 KVEC( 1350) = 4 -10 -28 11.4957 16 KVEC( 1351) = 7 -7 -32 11.5103 8 KVEC( 1352) = 5 -11 -20 11.5114 16 KVEC( 1353) = 7 -10 -19 11.5114 16 KVEC( 1354) = 2 -13 -7 11.5120 16 KVEC( 1355) = 0 -11 -27 11.5208 8 KVEC( 1356) = 9 -9 -14 11.5217 8 KVEC( 1357) = 0 0 -48 11.5232 2 KVEC( 1358) = 7 -8 -29 11.5407 16 KVEC( 1359) = 4 -11 -23 11.5412 16 KVEC( 1360) = 7 -11 -10 11.5419 16 KVEC( 1361) = 1 -13 -10 11.5419 16 KVEC( 1362) = -5 -6 -39 11.5495 16 KVEC( 1363) = 3 -13 0 11.5521 8 KVEC( 1364) = 0 -7 -41 11.5592 8 KVEC( 1365) = 3 -8 -37 11.5597 16 KVEC( 1366) = 5 -12 -11 11.5618 16 KVEC( 1367) = 0 -13 -11 11.5618 8 KVEC( 1368) = 3 -13 -2 11.5620 16 KVEC( 1369) = 6 -8 -32 11.5753 16 KVEC( 1370) = 0 -10 -32 11.5753 8 KVEC( 1371) = 2 -12 -20 11.5763 16 KVEC( 1372) = 3 -9 -34 11.5800 16 KVEC( 1373) = 8 -9 -21 11.5812 16 KVEC( 1374) = 1 -12 -21 11.5812 16 KVEC( 1375) = 2 -8 -38 11.5845 16 KVEC( 1376) = 8 -10 -14 11.5866 16 KVEC( 1377) = -1 -1 -48 11.5881 8 KVEC( 1378) = -1 -6 -43 11.5888 16 KVEC( 1379) = 6 -7 -35 11.5899 16 KVEC( 1380) = 2 -9 -35 11.5899 16 KVEC( 1381) = 6 -11 -17 11.5914 16 KVEC( 1382) = 2 -13 -9 11.5918 16 KVEC( 1383) = 3 -13 -4 11.5919 16 KVEC( 1384) = 4 -8 -36 11.6047 16 KVEC( 1385) = 4 -12 -16 11.6064 16 KVEC( 1386) = 8 -8 -26 11.6156 8 KVEC( 1387) = 6 -12 0 11.6168 8 KVEC( 1388) = 6 -10 -24 11.6257 16 KVEC( 1389) = 6 -12 -2 11.6267 16 KVEC( 1390) = -3 -3 -46 11.6380 8 KVEC( 1391) = -3 -4 -45 11.6382 16 KVEC( 1392) = 4 -9 -33 11.6398 16 KVEC( 1393) = 3 -12 -19 11.6410 16 KVEC( 1394) = 3 -13 -6 11.6415 16 KVEC( 1395) = -4 -4 -44 11.6433 8 KVEC( 1396) = -3 -7 -40 11.6488 16 KVEC( 1397) = 5 -10 -27 11.6503 16 KVEC( 1398) = 2 -11 -27 11.6503 16 KVEC( 1399) = 7 -11 -12 11.6512 16 KVEC( 1400) = 1 -13 -12 11.6512 16 KVEC( 1401) = 9 -10 -1 11.6515 16 KVEC( 1402) = 0 -12 -22 11.6556 8 KVEC( 1403) = 6 -12 -4 11.6564 16 KVEC( 1404) = 1 -9 -36 11.6691 16 KVEC( 1405) = 6 -9 -29 11.6699 16 KVEC( 1406) = 9 -9 -16 11.6708 8 KVEC( 1407) = 9 -10 -3 11.6712 16 KVEC( 1408) = 1 -8 -39 11.6786 16 KVEC( 1409) = -4 -7 -39 11.6786 16 KVEC( 1410) = 7 -9 -26 11.6800 16 KVEC( 1411) = 3 -11 -26 11.6800 16 KVEC( 1412) = 5 -12 -13 11.6809 16 KVEC( 1413) = 0 -13 -13 11.6809 8 KVEC( 1414) = -2 -7 -41 11.6882 16 KVEC( 1415) = 1 -11 -28 11.6897 16 KVEC( 1416) = 2 -13 -11 11.6908 16 KVEC( 1417) = -2 -4 -46 11.7023 16 KVEC( 1418) = 2 -10 -32 11.7041 16 KVEC( 1419) = 6 -12 -6 11.7057 16 KVEC( 1420) = -2 -3 -47 11.7070 16 KVEC( 1421) = -3 -5 -44 11.7075 16 KVEC( 1422) = 3 -10 -31 11.7091 16 KVEC( 1423) = 7 -10 -21 11.7100 16 KVEC( 1424) = 3 -13 -8 11.7106 16 KVEC( 1425) = 9 -10 -5 11.7107 16 KVEC( 1426) = -6 -6 -38 11.7132 8 KVEC( 1427) = -4 -5 -43 11.7175 16 KVEC( 1428) = 5 -8 -35 11.7185 16 KVEC( 1429) = 5 -11 -22 11.7198 16 KVEC( 1430) = 8 -10 -16 11.7349 16 KVEC( 1431) = -2 -5 -45 11.7663 16 KVEC( 1432) = 1 -10 -33 11.7679 16 KVEC( 1433) = 5 -9 -32 11.7680 16 KVEC( 1434) = 6 -11 -19 11.7691 16 KVEC( 1435) = 9 -10 -7 11.7696 16 KVEC( 1436) = 4 -12 -18 11.7740 16 KVEC( 1437) = 6 -12 -8 11.7745 16 KVEC( 1438) = -5 -7 -38 11.7771 16 KVEC( 1439) = 4 -11 -25 11.7784 16 KVEC( 1440) = 7 -11 -14 11.7791 16 KVEC( 1441) = 1 -13 -14 11.7791 16 KVEC( 1442) = 8 -11 -1 11.7795 16 KVEC( 1443) = 4 -13 -1 11.7795 16 KVEC( 1444) = -2 -2 -48 11.7806 8 KVEC( 1445) = 4 -10 -30 11.7829 16 KVEC( 1446) = 2 -12 -22 11.7836 16 KVEC( 1447) = -1 -7 -42 11.7961 16 KVEC( 1448) = -5 -5 -42 11.7961 8 KVEC( 1449) = 0 -11 -29 11.7976 8 KVEC( 1450) = 8 -9 -23 11.7982 16 KVEC( 1451) = 1 -12 -23 11.7982 16 KVEC( 1452) = 3 -13 -10 11.7989 16 KVEC( 1453) = 8 -11 -3 11.7990 16 KVEC( 1454) = 4 -13 -3 11.7990 16 KVEC( 1455) = 2 -13 -13 11.8085 16 KVEC( 1456) = 0 -9 -37 11.8163 8 KVEC( 1457) = 5 -12 -15 11.8182 16 KVEC( 1458) = 0 -13 -15 11.8182 8 KVEC( 1459) = 7 -7 -34 11.8362 8 KVEC( 1460) = 7 -8 -31 11.8365 16 KVEC( 1461) = 3 -12 -21 11.8373 16 KVEC( 1462) = 9 -9 -18 11.8375 8 KVEC( 1463) = 8 -11 -5 11.8380 16 KVEC( 1464) = 4 -13 -5 11.8380 16 KVEC( 1465) = 0 -8 -40 11.8403 8 KVEC( 1466) = -3 -6 -43 11.8448 16 KVEC( 1467) = 9 -10 -9 11.8477 16 KVEC( 1468) = -4 -6 -42 11.8595 16 KVEC( 1469) = 6 -12 -10 11.8622 16 KVEC( 1470) = 6 -10 -26 11.8710 16 KVEC( 1471) = 8 -8 -28 11.8806 8 KVEC( 1472) = 0 -12 -24 11.8809 8 KVEC( 1473) = 8 -11 -7 11.8963 16 KVEC( 1474) = 4 -13 -7 11.8963 16 KVEC( 1475) = -2 -6 -44 11.8981 16 KVEC( 1476) = 6 -8 -34 11.8993 16 KVEC( 1477) = 0 -10 -34 11.8993 8 KVEC( 1478) = 8 -10 -18 11.9007 16 KVEC( 1479) = 3 -13 -12 11.9058 16 KVEC( 1480) = 3 -9 -36 11.9233 16 KVEC( 1481) = 5 -10 -29 11.9241 16 KVEC( 1482) = 2 -11 -29 11.9241 16 KVEC( 1483) = 7 -10 -23 11.9246 16 KVEC( 1484) = 7 -11 -16 11.9250 16 KVEC( 1485) = 1 -13 -16 11.9250 16 KVEC( 1486) = -3 -8 -39 11.9326 16 KVEC( 1487) = -5 -6 -41 11.9420 16 KVEC( 1488) = 2 -9 -37 11.9425 16 KVEC( 1489) = -6 -7 -37 11.9425 16 KVEC( 1490) = 7 -9 -28 11.9435 16 KVEC( 1491) = 3 -11 -28 11.9435 16 KVEC( 1492) = 5 -11 -24 11.9438 16 KVEC( 1493) = 2 -13 -15 11.9444 16 KVEC( 1494) = 9 -10 -11 11.9446 16 KVEC( 1495) = 4 -12 -20 11.9586 16 KVEC( 1496) = 6 -9 -31 11.9625 16 KVEC( 1497) = 6 -11 -21 11.9633 16 KVEC( 1498) = -2 -8 -40 11.9663 16 KVEC( 1499) = -4 -8 -38 11.9665 16 KVEC( 1500) = 6 -12 -12 11.9687 16 KVEC( 1501) = 4 -9 -35 11.9717 16 KVEC( 1502) = 1 -11 -30 11.9722 16 KVEC( 1503) = 5 -12 -17 11.9732 16 KVEC( 1504) = 0 -13 -17 11.9732 8 KVEC( 1505) = 8 -11 -9 11.9736 16 KVEC( 1506) = 4 -13 -9 11.9736 16 SIZE INCLUDING STAR MEMBERS = 19965 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... ILOOP 1 ILOOP 2 FERMI ENERGY AT 0.373636372933391 SUM RULE OF TETRAHEDRON INTEGRATION CHECKED call eweigh... number of occupied bands: 34 highest energy: 0.386706921684588 Bandranges (emin - emax) and occupancy: band 1 -3.4952531722 -3.4911395646 0.200000D+01 band 2 -3.4952123116 -3.4908222290 0.200000D+01 band 3 -3.4907613559 -3.4865284587 0.200000D+01 band 4 -3.4904493776 -3.4864891573 0.200000D+01 band 5 -3.4759859248 -3.4751428622 0.200000D+01 band 6 -3.4751371973 -3.4743590931 0.200000D+01 band 7 -2.2032864204 -2.2029497559 0.200000D+01 band 8 -2.2031386402 -2.2029423153 0.200000D+01 band 9 -2.2025101520 -2.2023450457 0.200000D+01 band 10 -2.2024901763 -2.2023170223 0.200000D+01 band 11 -2.2022496070 -2.2019525426 0.200000D+01 band 12 -2.2022337088 -2.2019525426 0.200000D+01 band 13 -2.2020610277 -2.2019253783 0.200000D+01 band 14 -2.2019966444 -2.2019253783 0.200000D+01 band 15 -2.2008316950 -2.2006726033 0.200000D+01 band 16 -2.2007679875 -2.2005682204 0.200000D+01 band 17 -1.8683631790 -1.8655891042 0.200000D+01 band 18 -0.6745225285 -0.6571963042 0.200000D+01 band 19 -0.6675417474 -0.6509398007 0.200000D+01 band 20 -0.6562945400 -0.6488623464 0.200000D+01 band 21 -0.4889620439 -0.3755745025 0.200000D+01 band 22 -0.4096282624 -0.3671947157 0.200000D+01 band 23 0.0388650309 0.1020864309 0.200000D+01 band 24 0.0445785391 0.1376262898 0.200000D+01 band 25 0.1233451756 0.1904884798 0.200000D+01 band 26 0.1558551712 0.1944129594 0.200000D+01 band 27 0.1796872382 0.2269431480 0.200000D+01 band 28 0.2036770858 0.2718290207 0.200000D+01 band 29 0.2388605473 0.3010838431 0.200000D+01 band 30 0.2759309307 0.3479582771 0.200000D+01 band 31 0.2788786925 0.3753448302 0.199949D+01 band 32 0.2814270621 0.3935130907 0.174922D+01 band 33 0.3365485229 0.4164134121 0.165172D+01 band 34 0.3422307602 0.4170205135 0.159956D+01 band 35 0.3744901106 0.4729719916 0.000000D+00 band 36 0.3765013630 0.5302544745 0.000000D+00 band 37 0.4657671809 0.5927046908 0.000000D+00 band 38 0.4665777828 0.5927046908 0.000000D+00 band 39 0.6160221444 0.7624020940 0.000000D+00 band 40 0.6526688927 0.8065389612 0.000000D+00 band 41 0.7411712787 0.8611983256 0.000000D+00 band 42 0.7696279711 0.8839899158 0.000000D+00 band 43 0.8220564467 0.9053051895 0.000000D+00 band 44 0.8222368928 0.9360470299 0.000000D+00 band 45 0.8926533889 1.0063951149 0.000000D+00 band 46 0.9192637161 1.0970157931 0.000000D+00 band 47 0.9531874216 1.1064972102 0.000000D+00 band 48 0.9718448756 1.1473478287 0.000000D+00 band 49 0.9753185868 1.1976450903 0.000000D+00 band 50 1.0203999805 1.2383443534 0.000000D+00 band 51 1.0699956792 1.2626303576 0.000000D+00 band 52 1.1414773142 1.4143821999 0.000000D+00 band 53 1.1865636393 1.4330867692 0.000000D+00 band 54 1.2104812044 1.4514679814 0.000000D+00 band 55 1.2628591434 1.5174903505 0.000000D+00 band 56 1.2946373963 1.5454942844 0.000000D+00 band 57 1.3811824140 1.6008319714 0.000000D+00 band 58 1.3811824140 1.6357818323 0.000000D+00 band 59 1.4498029263 1.6546497121 0.000000D+00 band 60 1.5000097247 1.6932624145 0.000000D+00 band 61 1.5265328172 1.7313476478 0.000000D+00 band 62 1.5689117859 1.7557012952 0.000000D+00 band 63 1.5869056603 1.8003491184 0.000000D+00 band 64 1.5965763526 1.8589956633 0.000000D+00 band 65 1.5965763527 1.8903916044 0.000000D+00 band 66 1.6202453725 1.9000098381 0.000000D+00 band 67 1.7564308893 1.9954547126 0.000000D+00 band 68 1.8413253987 1.9986106475 0.000000D+00 band 69 1.8823264413 1.9996700831 0.000000D+00 band 70 1.9028128148 1.9994586965 0.000000D+00 band 71 1.9579638641 1.9999711226 0.000000D+00 band 72 1.9969735936 1.9969735936 0.000000D+00 eseper below EF 0.500000000000000 eseper minimum gap 5.000000000000000E-002 Energy to separate semicore and valence states: -1.113496908332241E-002 :NOE : NUMBER OF ELECTRONS = 67.000 :FER : F E R M I - ENERGY(TETRAH.M.)= 0.37364 wmist 66.9999999998535 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 = 0.50000 0.00000 0.25000 MULTIPLICITY = 2 NOT EQUIV ATOM Fe1 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 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 0.500 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 ATOMIC PARAMETERS FOR Fe1 ENERGY PARAMETERS ARE 0.30 0.30 0.31 0.30 0.30 0.30 0.30 ENERGY PARAMETERS ARE 0.30 0.30 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 -0.471976E+00 0.159564E+00 0.124639E+00 0.331915E+00 0.214036E-01 3 3 3 0 -0.471976E+00 0.159564E+00 0.124639E+00 0.331915E+00 0.214036E-01 3 3 3 1 0.567280E+00 0.839438E-01 -0.919359E-01 -0.324824E+00 0.145924E-01 2 2 2 1 0.567280E+00 0.839438E-01 -0.919359E-01 -0.324824E+00 0.145924E-01 2 2 2 2 0.166618E+00 -0.139360E+00 -0.624089E+00 -0.537742E+00 0.805217E+00 0 0 0 2 0.166618E+00 -0.139360E+00 -0.624089E+00 -0.537742E+00 0.805217E+00 0 0 0 3 0.749706E+00 0.740383E+00 -0.605496E-01 -0.295279E+00 0.454175E-02 0 0 0 3 0.749706E+00 0.740383E+00 -0.605496E-01 -0.295279E+00 0.454175E-02 0 0 0 4 0.862286E+00 0.127973E+01 -0.409602E-01 -0.265522E+00 0.165058E-02 0 0 0 4 0.862286E+00 0.127973E+01 -0.409602E-01 -0.265522E+00 0.165058E-02 0 0 0 5 0.952886E+00 0.185310E+01 -0.310948E-01 -0.245733E+00 0.811935E-03 0 0 0 5 0.952886E+00 0.185310E+01 -0.310948E-01 -0.245733E+00 0.811935E-03 0 0 0 6 0.103256E+01 0.246863E+01 -0.248941E-01 -0.230477E+00 0.457861E-03 0 0 0 6 0.103256E+01 0.246863E+01 -0.248941E-01 -0.230477E+00 0.457861E-03 0 0 0 7 0.110510E+01 0.312650E+01 -0.206012E-01 -0.218017E+00 0.280966E-03 0 0 0 7 0.110510E+01 0.312650E+01 -0.206012E-01 -0.218017E+00 0.280966E-03 0 0 0 8 0.117238E+01 0.382538E+01 -0.174525E-01 -0.207506E+00 0.183015E-03 0 0 0 8 0.117238E+01 0.382538E+01 -0.174525E-01 -0.207506E+00 0.183015E-03 0 0 0 LO COEFFICIENT: l,A,B,C 0 0.87473 3.31240 0.00000 1 -0.464595E-01 0.726195E-01 0 1 0 LO COEFFICIENT: l,A,B,C 1 0.80178 4.94727 0.00000 LO COEFFICIENT: l,A,B,C 1 0.08118 0.00000 0.99125 LO COEFFICIENT: l,A,B,C 2 0.97248 0.25963 0.00000 atom 1 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 1: 13.137124 :PCS001: PARTIAL CHARGES SPHERE = 1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ :QTL001: 0.3767 6.3927 6.3329 0.0273 2.1065 4.2863 0.0000 1.4102 1.2773 1.1968 2.4486 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: 0.0853 -0.4488 6.0608 -3.4481 0.0688 -0.4406 0.0063 -0.6616 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: 0.2914 0.0988 0.3319 0.1997 6.2641 0.2814 0.0210 0.2122 EFG INSIDE SPHERE 1: -0.394178 UP TO R = 2.3800000 :POS002: AT.NR. -2 POSITION = 0.00000 0.00000 0.64690 MULTIPLICITY = 2 NOT EQUIV ATOM As1 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 0.647 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 0.353 -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 As1 ENERGY PARAMETERS ARE -0.82 0.30 -2.21 0.30 0.30 0.30 0.30 ENERGY PARAMETERS ARE 0.30 0.30 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 -0.497954E+00 0.197910E+00 0.156469E+00 0.388886E+00 0.249625E-01 3 3 3 0 -0.497954E+00 0.197910E+00 0.156469E+00 0.388886E+00 0.249625E-01 3 3 3 1 0.515681E+00 -0.259022E+00 -0.139496E+00 -0.365528E+00 0.195198E-01 2 2 2 1 0.515681E+00 -0.259022E+00 -0.139496E+00 -0.365528E+00 0.195198E-01 2 2 2 2 0.640480E-01 -0.106054E+00 -0.118527E+01 -0.154555E+01 0.167295E+01 0 0 0 2 0.640480E-01 -0.106054E+00 -0.118527E+01 -0.154555E+01 0.167295E+01 0 0 0 3 0.867493E+00 0.873596E+00 -0.625261E-01 -0.321893E+00 0.351223E-02 0 0 0 3 0.867493E+00 0.873596E+00 -0.625261E-01 -0.321893E+00 0.351223E-02 0 0 0 4 0.101546E+01 0.162939E+01 -0.404672E-01 -0.286125E+00 0.114909E-02 0 0 0 4 0.101546E+01 0.162939E+01 -0.404672E-01 -0.286125E+00 0.114909E-02 0 0 0 5 0.112952E+01 0.241915E+01 -0.302025E-01 -0.263535E+00 0.542784E-03 0 0 0 5 0.112952E+01 0.241915E+01 -0.302025E-01 -0.263535E+00 0.542784E-03 0 0 0 6 0.122809E+01 0.326116E+01 -0.239581E-01 -0.246501E+00 0.299339E-03 0 0 0 6 0.122809E+01 0.326116E+01 -0.239581E-01 -0.246501E+00 0.299339E-03 0 0 0 7 0.131697E+01 0.415775E+01 -0.197141E-01 -0.232769E+00 0.181143E-03 0 0 0 7 0.131697E+01 0.415775E+01 -0.197141E-01 -0.232769E+00 0.181143E-03 0 0 0 8 0.139893E+01 0.510807E+01 -0.166379E-01 -0.221283E+00 0.116887E-03 0 0 0 8 0.139893E+01 0.510807E+01 -0.166379E-01 -0.221283E+00 0.116887E-03 0 0 0 0 -0.298472E+00 0.613557E+00 0 3 0 LO COEFFICIENT: l,A,B,C 0 0.89342 2.84327 0.00000 LO COEFFICIENT: l,A,B,C 0 1.39405 0.00000 -2.32575 LO COEFFICIENT: l,A,B,C 1 0.88849 3.28452 0.00000 2 -0.721364E+00 -0.377089E+00 0 1 0 LO COEFFICIENT: l,A,B,C 2 0.99757 0.05391 0.00000 LO COEFFICIENT: l,A,B,C 2 0.98079 0.00000 0.08708 atom 2 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 2: 12.711623 :PCS002: PARTIAL CHARGES SPHERE = 2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ :QTL002: 1.1965 1.489210.0126 0.0109 0.5110 0.9782 0.0000 2.0033 2.0037 2.0022 4.0034 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: 1.1243 -0.4073 0.0107 -0.5738 9.9585 -2.2021 0.0003 -2.3138 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: 0.0721 0.1662 1.4786 0.1708 0.0542 0.2622 0.0106 0.3042 EFG INSIDE SPHERE 2: -3.628207 UP TO R = 2.1100000 :POS003: AT.NR. -3 POSITION = 0.00000 0.00000 0.00000 MULTIPLICITY = 1 NOT EQUIV ATOM K 1 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 K 1 ENERGY PARAMETERS ARE -1.90 -0.69 0.30 0.30 0.30 0.30 0.30 ENERGY PARAMETERS ARE 0.30 0.30 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 0.115642E+00 -0.149467E+00 -0.554238E+00 -0.667193E+00 0.573816E+00 2 2 2 0 0.115642E+00 -0.149467E+00 -0.554238E+00 -0.667193E+00 0.573816E+00 2 2 2 1 -0.161026E+00 0.181324E+00 0.444001E+00 0.493707E+00 0.395745E+00 1 1 1 1 -0.161026E+00 0.181324E+00 0.444001E+00 0.493707E+00 0.395745E+00 1 1 1 2 0.444217E+00 0.828645E-01 -0.205187E+00 -0.398474E+00 0.964963E-01 0 0 0 2 0.444217E+00 0.828645E-01 -0.205187E+00 -0.398474E+00 0.964963E-01 0 0 0 3 0.691425E+00 0.652894E+00 -0.638839E-01 -0.291731E+00 0.590158E-02 0 0 0 3 0.691425E+00 0.652894E+00 -0.638839E-01 -0.291731E+00 0.590158E-02 0 0 0 4 0.799128E+00 0.113736E+01 -0.426385E-01 -0.260900E+00 0.209553E-02 0 0 0 4 0.799128E+00 0.113736E+01 -0.426385E-01 -0.260900E+00 0.209553E-02 0 0 0 5 0.884628E+00 0.164865E+01 -0.321381E-01 -0.240754E+00 0.101334E-02 0 0 0 5 0.884628E+00 0.164865E+01 -0.321381E-01 -0.240754E+00 0.101334E-02 0 0 0 6 0.959276E+00 0.219553E+01 -0.256335E-01 -0.225449E+00 0.565893E-03 0 0 0 6 0.959276E+00 0.219553E+01 -0.256335E-01 -0.225449E+00 0.565893E-03 0 0 0 7 0.102698E+01 0.277893E+01 -0.211688E-01 -0.213062E+00 0.345248E-03 0 0 0 7 0.102698E+01 0.277893E+01 -0.211688E-01 -0.213062E+00 0.345248E-03 0 0 0 8 0.108964E+01 0.339802E+01 -0.179113E-01 -0.202673E+00 0.224073E-03 0 0 0 8 0.108964E+01 0.339802E+01 -0.179113E-01 -0.202673E+00 0.224073E-03 0 0 0 0 -0.525223E+00 -0.271199E+00 0 3 0 LO COEFFICIENT: l,A,B,C 0 0.98774 0.20609 0.00000 LO COEFFICIENT: l,A,B,C 0 0.91827 0.00000 0.20218 1 0.279613E+00 0.450831E+00 0 2 0 LO COEFFICIENT: l,A,B,C 1 0.97495 0.35359 0.00000 LO COEFFICIENT: l,A,B,C 1 0.66994 0.00000 0.38581 atom 3 ncomu 0 lmmax 6 LMMAX 6 LM= 0 0 2 0 4 0 4 4 6 0 6 4 0 TOTAL CHARGE INSIDE SPHERE 3: 7.718781 :PCS003: PARTIAL CHARGES SPHERE = 3 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ :QTL003: 1.9849 5.6750 0.0552 0.0033 1.8947 3.7803 0.0000 0.0092 0.0147 0.0030 0.0282 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: 1.9604 -1.8654 5.6090 -0.6559 0.0023 -0.4180 0.0003 -0.4317 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: 0.0245 0.1360 0.0660 0.1610 0.0529 0.2173 0.0030 0.2235 EFG INSIDE SPHERE 3: -1.396370 UP TO R = 2.5000000 atpar (cpu,wall): 0.0 0.0 readvec (cpu,wall): 0.4 0.8 readvec, read only (cpu,wall): 0.3 0.7 blocked loop (cpu): 11.4 11.1 reduced (cpu): 0.6 0.5 ilm-tot loop (cpu): 24.6 25.5 ilm-1 loop (cpu): 8.5 ilm-2 loop (cpu): 7.4 ilm-3 loop (cpu): 7.6 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 = 67.000000 SUM OF EIGENVALUES: -89.787748 max k indices: 4 4 15 n,iff1,iff2,iff3 651 24 24 72 FORCE-CALCULATION: F 1506 FOURIER COEFFICIENTS CALCULATED LARGEST COMPONENTS: 5 5 16 =====>>> CPU TIME SUMMARY TOTAL : 92.8 ... 100. PERCENT PART FERMI : 0.2 ... 0. PERCENT PART CLM : 37.5 ... 40. PERCENT PART FOURIR : 55.0 ... 59. PERCENT =====>>> WALL TIME SUMMARY TOTAL : 94.0 ... 100. PERCENT PART FERMI : 0.2 ... 0. PERCENT PART CLM : 38.6 ... 41. PERCENT PART FOURIR : 55.1 ... 59. PERCENT