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 = FeTe LATTICE = P LATTICE CONSTANTS ARE = 7.2223470 7.2223470 11.8771220 NUMBER OF ATOMS IN UNITCELL = 2 MODE OF CALCULATION IS = RELA TYPE OF COORDINATES IN DSPLIT= generate new recprlist KXMAX,KYMAX,KZMAX 13 13 22 1393 PLANE WAVES GENERATED (INCLUDING FORBIDDEN H,K,L) nwav1,kn 11111 1393 KVEC( 1) = 0 0 0 0.0000 1 KVEC( 2) = 0 0 -1 0.5290 2 KVEC( 3) = -1 0 0 0.8700 4 KVEC( 4) = -1 0 -1 1.0182 8 KVEC( 5) = 0 0 -2 1.0580 2 KVEC( 6) = -1 -1 0 1.2303 4 KVEC( 7) = -1 -1 -1 1.3392 8 KVEC( 8) = -1 0 -2 1.3698 8 KVEC( 9) = 0 0 -3 1.5870 2 KVEC( 10) = -1 -1 -2 1.6227 8 KVEC( 11) = -2 0 0 1.7399 4 KVEC( 12) = -1 0 -3 1.8099 8 KVEC( 13) = -2 0 -1 1.8186 8 KVEC( 14) = -2 -1 0 1.9453 8 KVEC( 15) = -1 -1 -3 2.0081 8 KVEC( 16) = -2 -1 -1 2.0159 16 KVEC( 17) = -2 0 -2 2.0364 8 KVEC( 18) = 0 0 -4 2.1161 2 KVEC( 19) = -2 -1 -2 2.2144 16 KVEC( 20) = -1 0 -4 2.2879 8 KVEC( 21) = -2 0 -3 2.3550 8 KVEC( 22) = -1 -1 -4 2.4477 8 KVEC( 23) = -2 -2 0 2.4606 4 KVEC( 24) = -2 -1 -3 2.5106 16 KVEC( 25) = -2 -2 -1 2.5169 8 KVEC( 26) = -3 0 0 2.6099 4 KVEC( 27) = 0 0 -5 2.6451 2 KVEC( 28) = -3 0 -1 2.6630 8 KVEC( 29) = -2 -2 -2 2.6785 8 KVEC( 30) = -2 0 -4 2.7395 8 KVEC( 31) = -3 -1 0 2.7511 8 KVEC( 32) = -1 0 -5 2.7845 8 KVEC( 33) = -3 -1 -1 2.8015 16 KVEC( 34) = -3 0 -2 2.8162 8 KVEC( 35) = -2 -1 -4 2.8744 16 KVEC( 36) = -1 -1 -5 2.9172 8 KVEC( 37) = -2 -2 -3 2.9280 8 KVEC( 38) = -3 -1 -2 2.9475 16 KVEC( 39) = -3 0 -3 3.0545 8 KVEC( 40) = -3 -2 0 3.1367 8 KVEC( 41) = -2 0 -5 3.1660 8 KVEC( 42) = 0 0 -6 3.1741 2 KVEC( 43) = -3 -1 -3 3.1760 16 KVEC( 44) = -3 -2 -1 3.1810 16 KVEC( 45) = -2 -2 -4 3.2454 8 KVEC( 46) = -2 -1 -5 3.2834 16 KVEC( 47) = -1 0 -6 3.2912 8 KVEC( 48) = -3 -2 -2 3.3103 16 KVEC( 49) = -3 0 -4 3.3600 8 KVEC( 50) = -1 -1 -6 3.4042 8 KVEC( 51) = -3 -1 -4 3.4707 16 KVEC( 52) = -4 0 0 3.4799 4 KVEC( 53) = -3 -2 -3 3.5153 16 KVEC( 54) = -4 0 -1 3.5198 8 KVEC( 55) = -4 -1 0 3.5870 8 KVEC( 56) = -2 -2 -5 3.6126 8 KVEC( 57) = -2 0 -6 3.6197 8 KVEC( 58) = -4 -1 -1 3.6258 16 KVEC( 59) = -4 0 -2 3.6371 8 KVEC( 60) = -3 -3 0 3.6909 4 KVEC( 61) = 0 0 -7 3.7031 2 KVEC( 62) = -3 0 -5 3.7159 8 KVEC( 63) = -2 -1 -6 3.7228 16 KVEC( 64) = -3 -3 -1 3.7287 8 KVEC( 65) = -4 -1 -2 3.7397 16 KVEC( 66) = -3 -2 -4 3.7837 16 KVEC( 67) = -1 0 -7 3.8039 8 KVEC( 68) = -3 -1 -5 3.8164 16 KVEC( 69) = -4 0 -3 3.8247 8 KVEC( 70) = -3 -3 -2 3.8396 8 KVEC( 71) = -4 -2 0 3.8906 8 KVEC( 72) = -1 -1 -7 3.9021 8 KVEC( 73) = -4 -1 -3 3.9224 16 KVEC( 74) = -4 -2 -1 3.9264 16 KVEC( 75) = -2 -2 -6 4.0162 8 KVEC( 76) = -3 -3 -3 4.0177 8 KVEC( 77) = -4 -2 -2 4.0319 16 KVEC( 78) = -4 0 -4 4.0727 8 KVEC( 79) = -2 0 -7 4.0915 8 KVEC( 80) = -3 -2 -5 4.1031 16 KVEC( 81) = -3 0 -6 4.1093 8 KVEC( 82) = -4 -1 -4 4.1646 16 KVEC( 83) = -2 -1 -7 4.1830 16 KVEC( 84) = -3 -1 -6 4.2004 16 KVEC( 85) = -4 -2 -3 4.2018 16 KVEC( 86) = 0 0 -8 4.2321 2 KVEC( 87) = -3 -3 -4 4.2545 8 KVEC( 88) = -1 0 -8 4.3206 8 KVEC( 89) = -5 0 0 4.3498 4 KVEC( 90) = -4 -3 0 4.3498 8 KVEC( 91) = -4 0 -5 4.3710 8 KVEC( 92) = -5 0 -1 4.3819 8 KVEC( 93) = -4 -3 -1 4.3819 16 KVEC( 94) = -1 -1 -8 4.4073 8 KVEC( 95) = -4 -2 -4 4.4288 16 KVEC( 96) = -5 -1 0 4.4360 8 KVEC( 97) = -2 -2 -7 4.4461 8 KVEC( 98) = -4 -1 -5 4.4568 16 KVEC( 99) = -3 -2 -6 4.4625 16 KVEC( 100) = -5 -1 -1 4.4674 16 KVEC( 101) = -5 0 -2 4.4766 8 KVEC( 102) = -4 -3 -2 4.4766 16 KVEC( 103) = -3 0 -7 4.5304 8 KVEC( 104) = -3 -3 -5 4.5409 8 KVEC( 105) = -5 -1 -2 4.5604 16 KVEC( 106) = -2 0 -8 4.5758 8 KVEC( 107) = -3 -1 -7 4.6132 16 KVEC( 108) = -5 0 -3 4.6303 8 KVEC( 109) = -4 -3 -3 4.6303 16 KVEC( 110) = -2 -1 -8 4.6578 16 KVEC( 111) = -5 -2 0 4.6849 8 KVEC( 112) = -4 -2 -5 4.7046 16 KVEC( 113) = -4 0 -6 4.7100 8 KVEC( 114) = -5 -1 -3 4.7113 16 KVEC( 115) = -5 -2 -1 4.7147 16 KVEC( 116) = 0 0 -9 4.7611 2 KVEC( 117) = -4 -1 -6 4.7897 16 KVEC( 118) = -5 -2 -2 4.8029 16 KVEC( 119) = -5 0 -4 4.8372 8 KVEC( 120) = -4 -3 -4 4.8372 16 KVEC( 121) = -1 0 -9 4.8400 8 KVEC( 122) = -3 -2 -7 4.8530 16 KVEC( 123) = -3 -3 -6 4.8681 8 KVEC( 124) = -2 -2 -8 4.8955 8 KVEC( 125) = -5 -1 -4 4.9148 16 KVEC( 126) = -1 -1 -9 4.9175 8 KVEC( 127) = -4 -4 0 4.9213 4 KVEC( 128) = -5 -2 -3 4.9464 16 KVEC( 129) = -4 -4 -1 4.9496 8 KVEC( 130) = -3 0 -8 4.9722 8 KVEC( 131) = -4 -2 -6 5.0211 16 KVEC( 132) = -4 -4 -2 5.0337 8 KVEC( 133) = -3 -1 -8 5.0477 16 KVEC( 134) = -2 0 -9 5.0691 8 KVEC( 135) = -5 -3 0 5.0727 8 KVEC( 136) = -4 0 -7 5.0816 8 KVEC( 137) = -5 0 -5 5.0909 8 KVEC( 138) = -4 -3 -5 5.0909 16 KVEC( 139) = -5 -3 -1 5.1002 16 KVEC( 140) = -5 -2 -4 5.1406 16 KVEC( 141) = -2 -1 -9 5.1432 16 KVEC( 142) = -4 -1 -7 5.1555 16 KVEC( 143) = -5 -1 -5 5.1647 16 KVEC( 144) = -4 -4 -3 5.1708 8 KVEC( 145) = -5 -3 -2 5.1819 16 KVEC( 146) = -6 0 0 5.2198 4 KVEC( 147) = -3 -3 -7 5.2284 8 KVEC( 148) = -6 0 -1 5.2465 8 KVEC( 149) = -3 -2 -8 5.2678 16 KVEC( 150) = 0 0 -10 5.2902 2 KVEC( 151) = -6 -1 0 5.2918 8 KVEC( 152) = -5 -3 -3 5.3152 16 KVEC( 153) = -6 -1 -1 5.3182 16 KVEC( 154) = -6 0 -2 5.3259 8 KVEC( 155) = -4 -4 -4 5.3569 8 KVEC( 156) = -2 -2 -9 5.3594 8 KVEC( 157) = -1 0 -10 5.3612 8 KVEC( 158) = -4 -2 -7 5.3712 16 KVEC( 159) = -5 -2 -5 5.3800 16 KVEC( 160) = -5 0 -6 5.3848 8 KVEC( 161) = -4 -3 -6 5.3848 16 KVEC( 162) = -6 -1 -2 5.3965 16 KVEC( 163) = -3 0 -9 5.4296 8 KVEC( 164) = -1 -1 -10 5.4313 8 KVEC( 165) = -5 -1 -6 5.4546 16 KVEC( 166) = -6 0 -3 5.4557 8 KVEC( 167) = -4 0 -8 5.4791 8 KVEC( 168) = -5 -3 -4 5.4964 16 KVEC( 169) = -3 -1 -9 5.4988 16 KVEC( 170) = -6 -2 0 5.5021 8 KVEC( 171) = -6 -1 -3 5.5246 16 KVEC( 172) = -6 -2 -1 5.5275 16 KVEC( 173) = -4 -1 -8 5.5477 16 KVEC( 174) = -2 0 -10 5.5689 8 KVEC( 175) = -5 -4 0 5.5705 8 KVEC( 176) = -4 -4 -5 5.5871 8 KVEC( 177) = -5 -4 -1 5.5956 16 KVEC( 178) = -6 -2 -2 5.6029 16 KVEC( 179) = -3 -3 -8 5.6155 8 KVEC( 180) = -6 0 -4 5.6324 8 KVEC( 181) = -2 -1 -10 5.6365 16 KVEC( 182) = -5 -2 -6 5.6589 16 KVEC( 183) = -5 -4 -2 5.6701 16 KVEC( 184) = -6 -1 -4 5.6992 16 KVEC( 185) = -3 -2 -9 5.7015 16 KVEC( 186) = -5 0 -7 5.7126 8 KVEC( 187) = -4 -3 -7 5.7126 16 KVEC( 188) = -5 -3 -5 5.7209 16 KVEC( 189) = -6 -2 -3 5.7265 16 KVEC( 190) = -4 -2 -8 5.7487 16 KVEC( 191) = -5 -1 -7 5.7785 16 KVEC( 192) = -5 -4 -3 5.7922 16 KVEC( 193) = 0 0 -11 5.8192 2 KVEC( 194) = -2 -2 -10 5.8344 8 KVEC( 195) = -6 -3 0 5.8359 8 KVEC( 196) = -6 0 -5 5.8517 8 KVEC( 197) = -4 -4 -6 5.8561 8 KVEC( 198) = -6 -3 -1 5.8598 16 KVEC( 199) = -1 0 -11 5.8838 8 KVEC( 200) = -6 -2 -4 5.8950 16 KVEC( 201) = -4 0 -9 5.8973 8 KVEC( 202) = -3 0 -10 5.8989 8 KVEC( 203) = -6 -1 -5 5.9160 16 KVEC( 204) = -6 -3 -2 5.9310 16 KVEC( 205) = -1 -1 -11 5.9478 8 KVEC( 206) = -5 -4 -4 5.9589 16 KVEC( 207) = -4 -1 -9 5.9611 16 KVEC( 208) = -3 -1 -10 5.9627 16 KVEC( 209) = -5 -2 -7 5.9717 16 KVEC( 210) = -5 -3 -6 5.9839 16 KVEC( 211) = -3 -3 -9 6.0242 8 KVEC( 212) = -6 -3 -3 6.0478 16 KVEC( 213) = -5 0 -8 6.0689 8 KVEC( 214) = -4 -3 -8 6.0689 16 KVEC( 215) = -2 0 -11 6.0737 8 KVEC( 216) = -7 0 0 6.0898 4 KVEC( 217) = -6 -2 -5 6.1049 16 KVEC( 218) = -6 0 -6 6.1091 8 KVEC( 219) = -7 0 -1 6.1127 8 KVEC( 220) = -5 -1 -8 6.1310 16 KVEC( 221) = -2 -1 -11 6.1357 16 KVEC( 222) = -4 -2 -9 6.1486 16 KVEC( 223) = -3 -2 -10 6.1502 16 KVEC( 224) = -7 -1 0 6.1516 8 KVEC( 225) = -5 -5 0 6.1516 4 KVEC( 226) = -4 -4 -7 6.1589 8 KVEC( 227) = -5 -4 -5 6.1666 16 KVEC( 228) = -6 -1 -6 6.1707 16 KVEC( 229) = -7 -1 -1 6.1743 16 KVEC( 230) = -5 -5 -1 6.1743 8 KVEC( 231) = -7 0 -2 6.1810 8 KVEC( 232) = -6 -3 -4 6.2077 16 KVEC( 233) = -7 -1 -2 6.2419 16 KVEC( 234) = -5 -5 -2 6.2419 8 KVEC( 235) = -6 -4 0 6.2734 8 KVEC( 236) = -5 -3 -7 6.2806 16 KVEC( 237) = -7 0 -3 6.2932 8 KVEC( 238) = -6 -4 -1 6.2957 16 KVEC( 239) = -5 -2 -8 6.3134 16 KVEC( 240) = -2 -2 -11 6.3180 8 KVEC( 241) = -4 0 -10 6.3321 8 KVEC( 242) = -7 -2 0 6.3334 8 KVEC( 243) = 0 0 -12 6.3482 2 KVEC( 244) = -6 -2 -6 6.3520 16 KVEC( 245) = -7 -1 -3 6.3530 16 KVEC( 246) = -5 -5 -3 6.3530 8 KVEC( 247) = -7 -2 -1 6.3555 16 KVEC( 248) = -6 -4 -2 6.3620 16 KVEC( 249) = -3 0 -11 6.3776 8 KVEC( 250) = -4 -1 -10 6.3916 16 KVEC( 251) = -6 0 -7 6.3999 8 KVEC( 252) = -6 -3 -5 6.4074 16 KVEC( 253) = -1 0 -12 6.4075 8 KVEC( 254) = -5 -4 -6 6.4113 16 KVEC( 255) = -7 -2 -2 6.4212 16 KVEC( 256) = -3 -1 -11 6.4367 16 KVEC( 257) = -7 0 -4 6.4469 8 KVEC( 258) = -5 0 -9 6.4490 8 KVEC( 259) = -4 -3 -9 6.4490 16 KVEC( 260) = -3 -3 -10 6.4505 8 KVEC( 261) = -6 -1 -7 6.4588 16 KVEC( 262) = -1 -1 -12 6.4663 8 KVEC( 263) = -6 -4 -3 6.4710 16 KVEC( 264) = -4 -4 -8 6.4907 8 KVEC( 265) = -7 -1 -4 6.5054 16 KVEC( 266) = -5 -5 -4 6.5054 8 KVEC( 267) = -5 -1 -9 6.5074 16 KVEC( 268) = -7 -2 -3 6.5293 16 KVEC( 269) = -4 -2 -10 6.5668 16 KVEC( 270) = -2 0 -12 6.5823 8 KVEC( 271) = -5 -3 -8 6.6063 16 KVEC( 272) = -3 -2 -11 6.6107 16 KVEC( 273) = -6 -4 -4 6.6207 16 KVEC( 274) = -7 -3 0 6.6255 8 KVEC( 275) = -6 -2 -7 6.6322 16 KVEC( 276) = -7 0 -5 6.6394 8 KVEC( 277) = -2 -1 -12 6.6396 16 KVEC( 278) = -6 -3 -6 6.6432 16 KVEC( 279) = -7 -3 -1 6.6465 16 KVEC( 280) = -7 -2 -4 6.6776 16 KVEC( 281) = -5 -2 -9 6.6796 16 KVEC( 282) = -5 -4 -7 6.6891 16 KVEC( 283) = -7 -1 -5 6.6961 16 KVEC( 284) = -5 -5 -5 6.6961 8 KVEC( 285) = -7 -3 -2 6.7094 16 KVEC( 286) = -6 0 -8 6.7199 8 KVEC( 287) = -6 -1 -8 6.7760 16 KVEC( 288) = -4 0 -11 6.7803 8 KVEC( 289) = -6 -5 0 6.7946 8 KVEC( 290) = -6 -4 -5 6.8082 16 KVEC( 291) = -2 -2 -12 6.8084 8 KVEC( 292) = -7 -3 -3 6.8129 16 KVEC( 293) = -6 -5 -1 6.8152 16 KVEC( 294) = -4 -1 -11 6.8359 16 KVEC( 295) = -4 -4 -9 6.8474 8 KVEC( 296) = -5 0 -10 6.8488 8 KVEC( 297) = -4 -3 -10 6.8488 16 KVEC( 298) = -7 -2 -5 6.8636 16 KVEC( 299) = -3 0 -12 6.8637 8 KVEC( 300) = -7 0 -6 6.8673 8 KVEC( 301) = -6 -5 -2 6.8765 16 KVEC( 302) = 0 0 -13 6.8772 2 KVEC( 303) = -3 -3 -11 6.8910 8 KVEC( 304) = -5 -1 -10 6.9039 16 KVEC( 305) = -6 -3 -7 6.9116 16 KVEC( 306) = -3 -1 -12 6.9187 16 KVEC( 307) = -7 -1 -6 6.9222 16 KVEC( 308) = -5 -5 -6 6.9222 8 KVEC( 309) = -1 0 -13 6.9320 8 KVEC( 310) = -6 -2 -8 6.9415 16 KVEC( 311) = -7 -3 -4 6.9552 16 KVEC( 312) = -5 -3 -9 6.9571 16 KVEC( 313) = -8 0 0 6.9597 4 KVEC( 314) = -6 -5 -3 6.9775 16 KVEC( 315) = -8 0 -1 6.9798 8 KVEC( 316) = -1 -1 -13 6.9864 8 KVEC( 317) = -5 -4 -8 6.9958 16 KVEC( 318) = -4 -2 -11 7.0000 16 KVEC( 319) = -8 -1 0 7.0139 8 KVEC( 320) = -7 -4 0 7.0139 8 KVEC( 321) = -6 -4 -6 7.0307 16 KVEC( 322) = -8 -1 -1 7.0338 16 KVEC( 323) = -7 -4 -1 7.0338 16 KVEC( 324) = -8 0 -2 7.0397 8 KVEC( 325) = -6 0 -9 7.0650 8 KVEC( 326) = -5 -2 -10 7.0664 16 KVEC( 327) = -3 -2 -12 7.0808 16 KVEC( 328) = -7 -2 -6 7.0843 16 KVEC( 329) = -8 -1 -2 7.0932 16 KVEC( 330) = -7 -4 -2 7.0932 16 KVEC( 331) = -2 0 -13 7.0939 8 KVEC( 332) = -6 -5 -4 7.1165 16 KVEC( 333) = -6 -1 -9 7.1184 16 KVEC( 334) = -7 0 -7 7.1273 8 KVEC( 335) = -7 -3 -5 7.1339 16 KVEC( 336) = -8 0 -3 7.1384 8 KVEC( 337) = -2 -1 -13 7.1470 16 KVEC( 338) = -8 -2 0 7.1739 8 KVEC( 339) = -7 -1 -7 7.1802 16 KVEC( 340) = -5 -5 -7 7.1802 8 KVEC( 341) = -8 -1 -3 7.1912 16 KVEC( 342) = -7 -4 -3 7.1912 16 KVEC( 343) = -8 -2 -1 7.1934 16 KVEC( 344) = -6 -3 -8 7.2089 16 KVEC( 345) = -4 -4 -10 7.2253 8 KVEC( 346) = -4 0 -12 7.2394 8 KVEC( 347) = -8 -2 -2 7.2515 16 KVEC( 348) = -5 0 -11 7.2652 8 KVEC( 349) = -4 -3 -11 7.2652 16 KVEC( 350) = -8 0 -4 7.2743 8 KVEC( 351) = -6 -2 -9 7.2761 16 KVEC( 352) = -6 -4 -7 7.2848 16 KVEC( 353) = -6 -5 -5 7.2913 16 KVEC( 354) = -4 -1 -12 7.2915 16 KVEC( 355) = -2 -2 -13 7.3042 8 KVEC( 356) = -5 -1 -11 7.3171 16 KVEC( 357) = -8 -1 -4 7.3261 16 KVEC( 358) = -7 -4 -4 7.3261 16 KVEC( 359) = -5 -4 -9 7.3279 16 KVEC( 360) = -5 -3 -10 7.3293 16 KVEC( 361) = -7 -2 -7 7.3366 16 KVEC( 362) = -3 -3 -12 7.3432 8 KVEC( 363) = -7 -3 -6 7.3465 16 KVEC( 364) = -8 -2 -3 7.3474 16 KVEC( 365) = -3 0 -13 7.3558 8 KVEC( 366) = -6 -6 0 7.3819 4 KVEC( 367) = -6 -6 -1 7.4008 8 KVEC( 368) = 0 0 -14 7.4062 2 KVEC( 369) = -3 -1 -13 7.4070 16 KVEC( 370) = -7 0 -8 7.4159 8 KVEC( 371) = -6 0 -10 7.4318 8 KVEC( 372) = -8 -3 0 7.4330 8 KVEC( 373) = -8 0 -5 7.4454 8 KVEC( 374) = -4 -2 -12 7.4456 16 KVEC( 375) = -8 -3 -1 7.4518 16 KVEC( 376) = -1 0 -14 7.4571 8 KVEC( 377) = -6 -6 -2 7.4573 8 KVEC( 378) = -7 -1 -8 7.4668 16 KVEC( 379) = -5 -5 -8 7.4668 8 KVEC( 380) = -5 -2 -11 7.4707 16 KVEC( 381) = -8 -2 -4 7.4795 16 KVEC( 382) = -6 -1 -10 7.4826 16 KVEC( 383) = -7 -5 0 7.4837 8 KVEC( 384) = -8 -1 -5 7.4961 16 KVEC( 385) = -7 -4 -5 7.4961 16 KVEC( 386) = -6 -5 -6 7.4995 16 KVEC( 387) = -7 -5 -1 7.5024 16 KVEC( 388) = -1 -1 -14 7.5077 8 KVEC( 389) = -8 -3 -2 7.5079 16 KVEC( 390) = -6 -3 -9 7.5317 16 KVEC( 391) = -6 -6 -3 7.5506 8 KVEC( 392) = -7 -5 -2 7.5581 16 KVEC( 393) = -3 -2 -13 7.5588 16 KVEC( 394) = -6 -4 -8 7.5675 16 KVEC( 395) = -7 -3 -7 7.5901 16 KVEC( 396) = -8 -3 -3 7.6005 16 KVEC( 397) = -2 0 -14 7.6079 8 KVEC( 398) = -7 -2 -8 7.6173 16 KVEC( 399) = -4 -4 -11 7.6211 8 KVEC( 400) = -6 -2 -10 7.6328 16 KVEC( 401) = -8 -2 -5 7.6460 16 KVEC( 402) = -8 0 -6 7.6493 8 KVEC( 403) = -7 -5 -3 7.6501 16 KVEC( 404) = -2 -1 -14 7.6574 16 KVEC( 405) = -6 -6 -4 7.6792 8 KVEC( 406) = -5 -4 -10 7.6822 16 KVEC( 407) = -5 0 -12 7.6955 8 KVEC( 408) = -4 -3 -12 7.6955 16 KVEC( 409) = -8 -1 -6 7.6987 16 KVEC( 410) = -7 -4 -6 7.6987 16 KVEC( 411) = -4 0 -13 7.7075 8 KVEC( 412) = -5 -3 -11 7.7198 16 KVEC( 413) = -8 -3 -4 7.7283 16 KVEC( 414) = -7 0 -9 7.7300 8 KVEC( 415) = -6 -5 -7 7.7382 16 KVEC( 416) = -5 -1 -12 7.7445 16 KVEC( 417) = -4 -1 -13 7.7564 16 KVEC( 418) = -7 -5 -4 7.7771 16 KVEC( 419) = -7 -1 -9 7.7788 16 KVEC( 420) = -5 -5 -9 7.7788 8 KVEC( 421) = -8 -4 0 7.7812 8 KVEC( 422) = -8 -4 -1 7.7992 16 KVEC( 423) = -2 -2 -14 7.8043 8 KVEC( 424) = -3 -3 -13 7.8051 8 KVEC( 425) = -6 0 -11 7.8172 8 KVEC( 426) = -9 0 0 7.8297 4 KVEC( 427) = -6 -6 -5 7.8415 8 KVEC( 428) = -8 -2 -6 7.8447 16 KVEC( 429) = -9 0 -1 7.8475 8 KVEC( 430) = -3 0 -14 7.8526 8 KVEC( 431) = -8 -4 -2 7.8528 16 KVEC( 432) = -7 -3 -8 7.8618 16 KVEC( 433) = -6 -1 -11 7.8655 16 KVEC( 434) = -6 -4 -9 7.8755 16 KVEC( 435) = -6 -3 -10 7.8768 16 KVEC( 436) = -9 -1 0 7.8779 8 KVEC( 437) = -8 0 -7 7.8836 8 KVEC( 438) = -8 -3 -5 7.8896 16 KVEC( 439) = -5 -2 -12 7.8897 16 KVEC( 440) = -9 -1 -1 7.8956 16 KVEC( 441) = -3 -1 -14 7.9007 16 KVEC( 442) = -9 0 -2 7.9008 8 KVEC( 443) = -4 -2 -13 7.9014 16 KVEC( 444) = -7 -2 -9 7.9234 16 KVEC( 445) = -8 -1 -7 7.9314 16 KVEC( 446) = -7 -4 -7 7.9314 16 KVEC( 447) = 0 0 -15 7.9352 2 KVEC( 448) = -7 -5 -5 7.9374 16 KVEC( 449) = -8 -4 -3 7.9414 16 KVEC( 450) = -9 -1 -2 7.9486 16 KVEC( 451) = -1 0 -15 7.9828 8 KVEC( 452) = -9 0 -3 7.9889 8 KVEC( 453) = -6 -5 -8 8.0049 16 KVEC( 454) = -6 -2 -11 8.0085 16 KVEC( 455) = -9 -2 0 8.0207 8 KVEC( 456) = -7 -6 0 8.0207 8 KVEC( 457) = -1 -1 -15 8.0300 8 KVEC( 458) = -4 -4 -12 8.0323 8 KVEC( 459) = -6 -6 -6 8.0354 8 KVEC( 460) = -9 -1 -3 8.0361 16 KVEC( 461) = -9 -2 -1 8.0381 16 KVEC( 462) = -7 -6 -1 8.0381 16 KVEC( 463) = -3 -2 -14 8.0431 16 KVEC( 464) = -5 -4 -11 8.0556 16 KVEC( 465) = -8 -4 -4 8.0638 16 KVEC( 466) = -7 0 -10 8.0667 8 KVEC( 467) = -8 -2 -7 8.0733 16 KVEC( 468) = -8 -3 -6 8.0823 16 KVEC( 469) = -9 -2 -2 8.0902 16 KVEC( 470) = -7 -6 -2 8.0902 16 KVEC( 471) = -9 0 -4 8.1106 8 KVEC( 472) = -7 -1 -10 8.1134 16 KVEC( 473) = -5 -5 -10 8.1134 8 KVEC( 474) = -2 0 -15 8.1238 8 KVEC( 475) = -5 -3 -12 8.1260 16 KVEC( 476) = -7 -5 -6 8.1290 16 KVEC( 477) = -5 0 -13 8.1374 8 KVEC( 478) = -4 -3 -13 8.1374 16 KVEC( 479) = -8 0 -8 8.1455 8 KVEC( 480) = -9 -1 -4 8.1571 16 KVEC( 481) = -7 -3 -9 8.1587 16 KVEC( 482) = -2 -1 -15 8.1702 16 KVEC( 483) = -9 -2 -3 8.1762 16 KVEC( 484) = -7 -6 -3 8.1762 16 KVEC( 485) = -4 0 -14 8.1830 8 KVEC( 486) = -5 -1 -13 8.1837 16 KVEC( 487) = -8 -1 -8 8.1918 16 KVEC( 488) = -7 -4 -8 8.1918 16 KVEC( 489) = -6 -4 -10 8.2062 16 KVEC( 490) = -8 -5 0 8.2072 8 KVEC( 491) = -8 -4 -5 8.2185 16 KVEC( 492) = -6 0 -12 8.2186 8 KVEC( 493) = -8 -5 -1 8.2243 16 KVEC( 494) = -4 -1 -14 8.2291 16 KVEC( 495) = -6 -3 -11 8.2414 16 KVEC( 496) = -7 -2 -10 8.2522 16 KVEC( 497) = -9 -3 0 8.2532 8 KVEC( 498) = -6 -6 -7 8.2587 8 KVEC( 499) = -9 0 -5 8.2644 8 KVEC( 500) = -6 -1 -12 8.2645 16 KVEC( 501) = -9 -3 -1 8.2701 16 KVEC( 502) = -3 -3 -14 8.2750 8 KVEC( 503) = -8 -5 -2 8.2751 16 KVEC( 504) = -9 -2 -4 8.2951 16 KVEC( 505) = -7 -6 -4 8.2951 16 KVEC( 506) = -6 -5 -9 8.2967 16 KVEC( 507) = -8 -3 -7 8.3043 16 KVEC( 508) = -2 -2 -15 8.3080 8 KVEC( 509) = -9 -1 -5 8.3101 16 KVEC( 510) = -9 -3 -2 8.3207 16 KVEC( 511) = -5 -2 -13 8.3213 16 KVEC( 512) = -8 -2 -8 8.3292 16 KVEC( 513) = -7 -5 -7 8.3498 16 KVEC( 514) = -3 0 -15 8.3534 8 KVEC( 515) = -8 -5 -3 8.3593 16 KVEC( 516) = -4 -2 -14 8.3659 16 KVEC( 517) = -3 -1 -15 8.3986 16 KVEC( 518) = -6 -2 -12 8.4008 16 KVEC( 519) = -8 -4 -6 8.4037 16 KVEC( 520) = -9 -3 -3 8.4044 16 KVEC( 521) = -7 0 -11 8.4231 8 KVEC( 522) = -8 0 -9 8.4324 8 KVEC( 523) = -9 -2 -5 8.4456 16 KVEC( 524) = -7 -6 -5 8.4456 16 KVEC( 525) = -5 -4 -12 8.4457 16 KVEC( 526) = -9 0 -6 8.4486 8 KVEC( 527) = -4 -4 -13 8.4566 8 KVEC( 528) = 0 0 -16 8.4643 2 KVEC( 529) = -7 -1 -11 8.4679 16 KVEC( 530) = -5 -5 -11 8.4679 8 KVEC( 531) = -8 -5 -4 8.4756 16 KVEC( 532) = -8 -1 -9 8.4772 16 KVEC( 533) = -7 -4 -9 8.4772 16 KVEC( 534) = -7 -3 -10 8.4783 16 KVEC( 535) = -9 -1 -6 8.4933 16 KVEC( 536) = -1 0 -16 8.5088 8 KVEC( 537) = -6 -6 -8 8.5090 8 KVEC( 538) = -9 -3 -4 8.5202 16 KVEC( 539) = -3 -2 -15 8.5327 16 KVEC( 540) = -5 -3 -13 8.5457 16 KVEC( 541) = -1 -1 -16 8.5532 8 KVEC( 542) = -8 -3 -8 8.5534 16 KVEC( 543) = -6 -4 -11 8.5568 16 KVEC( 544) = -9 -4 0 8.5682 8 KVEC( 545) = -9 -4 -1 8.5845 16 KVEC( 546) = -5 0 -14 8.5891 8 KVEC( 547) = -4 -3 -14 8.5891 16 KVEC( 548) = -7 -5 -8 8.5975 16 KVEC( 549) = -7 -2 -11 8.6009 16 KVEC( 550) = -8 -2 -9 8.6101 16 KVEC( 551) = -6 -5 -10 8.6112 16 KVEC( 552) = -7 -7 0 8.6122 4 KVEC( 553) = -8 -4 -7 8.6174 16 KVEC( 554) = -8 -5 -5 8.6229 16 KVEC( 555) = -6 -3 -12 8.6231 16 KVEC( 556) = -9 -2 -6 8.6259 16 KVEC( 557) = -7 -6 -6 8.6259 16 KVEC( 558) = -7 -7 -1 8.6284 8 KVEC( 559) = -5 -1 -14 8.6331 16 KVEC( 560) = -9 -4 -2 8.6332 16 KVEC( 561) = -6 0 -13 8.6338 8 KVEC( 562) = -2 0 -16 8.6412 8 KVEC( 563) = -9 0 -7 8.6612 8 KVEC( 564) = -4 0 -15 8.6647 8 KVEC( 565) = -9 -3 -5 8.6667 16 KVEC( 566) = -7 -7 -2 8.6770 8 KVEC( 567) = -6 -1 -13 8.6775 16 KVEC( 568) = -2 -1 -16 8.6849 16 KVEC( 569) = -10 0 0 8.6996 4 KVEC( 570) = -8 -6 0 8.6996 8 KVEC( 571) = -9 -1 -7 8.7048 16 KVEC( 572) = -4 -1 -15 8.7083 16 KVEC( 573) = -9 -4 -3 8.7139 16 KVEC( 574) = -10 0 -1 8.7157 8 KVEC( 575) = -8 -6 -1 8.7157 16 KVEC( 576) = -8 0 -10 8.7420 8 KVEC( 577) = -10 -1 0 8.7430 8 KVEC( 578) = -3 -3 -15 8.7516 8 KVEC( 579) = -7 -7 -3 8.7572 8 KVEC( 580) = -10 -1 -1 8.7590 16 KVEC( 581) = -5 -2 -14 8.7636 16 KVEC( 582) = -10 0 -2 8.7637 8 KVEC( 583) = -8 -6 -2 8.7637 16 KVEC( 584) = -6 -6 -9 8.7841 8 KVEC( 585) = -8 -1 -10 8.7852 16 KVEC( 586) = -7 -4 -10 8.7852 16 KVEC( 587) = -7 0 -12 8.7969 8 KVEC( 588) = -8 -5 -6 8.7996 16 KVEC( 589) = -10 -1 -2 8.8068 16 KVEC( 590) = -6 -2 -13 8.8074 16 KVEC( 591) = -2 -2 -16 8.8147 8 KVEC( 592) = -7 -3 -11 8.8181 16 KVEC( 593) = -9 -4 -4 8.8256 16 KVEC( 594) = -8 -3 -9 8.8271 16 KVEC( 595) = -9 -2 -7 8.8343 16 KVEC( 596) = -7 -6 -7 8.8343 16 KVEC( 597) = -4 -2 -15 8.8377 16 KVEC( 598) = -7 -1 -12 8.8398 16 KVEC( 599) = -5 -5 -12 8.8398 8 KVEC( 600) = -9 -3 -6 8.8425 16 KVEC( 601) = -10 0 -3 8.8432 8 KVEC( 602) = -8 -6 -3 8.8432 16 KVEC( 603) = -5 -4 -13 8.8502 16 KVEC( 604) = -3 0 -16 8.8575 8 KVEC( 605) = -8 -4 -8 8.8576 16 KVEC( 606) = -7 -7 -4 8.8684 8 KVEC( 607) = -7 -5 -9 8.8699 16 KVEC( 608) = -10 -2 0 8.8719 8 KVEC( 609) = -10 -1 -3 8.8859 16 KVEC( 610) = -10 -2 -1 8.8877 16 KVEC( 611) = -4 -4 -14 8.8922 8 KVEC( 612) = -3 -1 -16 8.9001 16 KVEC( 613) = -9 0 -8 8.9003 8 KVEC( 614) = -8 -2 -10 8.9135 16 KVEC( 615) = -6 -4 -12 8.9250 16 KVEC( 616) = -10 -2 -2 8.9348 16 KVEC( 617) = -9 -1 -8 8.9427 16 KVEC( 618) = -6 -5 -11 8.9459 16 KVEC( 619) = -10 0 -4 8.9533 8 KVEC( 620) = -8 -6 -4 8.9533 16 KVEC( 621) = -9 -5 0 8.9568 8 KVEC( 622) = -9 -4 -5 8.9671 16 KVEC( 623) = -7 -2 -12 8.9673 16 KVEC( 624) = -9 -5 -1 8.9724 16 KVEC( 625) = -5 -3 -14 8.9769 16 KVEC( 626) = 0 0 -17 8.9933 2 KVEC( 627) = -10 -1 -4 8.9955 16 KVEC( 628) = -8 -5 -7 9.0040 16 KVEC( 629) = -7 -7 -5 9.0092 8 KVEC( 630) = -10 -2 -3 9.0128 16 KVEC( 631) = -9 -5 -2 9.0191 16 KVEC( 632) = -6 -3 -13 9.0196 16 KVEC( 633) = -3 -2 -16 9.0268 16 KVEC( 634) = -1 0 -17 9.0352 8 KVEC( 635) = -9 -3 -7 9.0459 16 KVEC( 636) = -5 0 -15 9.0493 8 KVEC( 637) = -4 -3 -15 9.0493 16 KVEC( 638) = -6 0 -14 9.0608 8 KVEC( 639) = -9 -2 -8 9.0687 16 KVEC( 640) = -7 -6 -8 9.0687 16 KVEC( 641) = -8 0 -11 9.0720 8 KVEC( 642) = -1 -1 -17 9.0770 8 KVEC( 643) = -6 -6 -10 9.0817 8 KVEC( 644) = -10 -3 0 9.0827 8 KVEC( 645) = -5 -1 -15 9.0910 16 KVEC( 646) = -10 0 -5 9.0929 8 KVEC( 647) = -8 -6 -5 9.0929 16 KVEC( 648) = -9 -5 -3 9.0963 16 KVEC( 649) = -10 -3 -1 9.0981 16 KVEC( 650) = -6 -1 -14 9.1025 16 KVEC( 651) = -8 -1 -11 9.1136 16 KVEC( 652) = -7 -4 -11 9.1136 16 KVEC( 653) = -10 -2 -4 9.1208 16 KVEC( 654) = -8 -4 -9 9.1223 16 KVEC( 655) = -8 -3 -10 9.1233 16 KVEC( 656) = -10 -1 -5 9.1344 16 KVEC( 657) = -9 -4 -6 9.1372 16 KVEC( 658) = -10 -3 -2 9.1441 16 KVEC( 659) = -4 0 -16 9.1517 8 KVEC( 660) = -2 0 -17 9.1600 8 KVEC( 661) = -9 0 -9 9.1636 8 KVEC( 662) = -7 -5 -10 9.1647 16 KVEC( 663) = -7 -3 -12 9.1758 16 KVEC( 664) = -7 -7 -6 9.1785 8 KVEC( 665) = -7 0 -13 9.1859 8 KVEC( 666) = -4 -1 -16 9.1929 16 KVEC( 667) = -2 -1 -17 9.2013 16 KVEC( 668) = -9 -5 -4 9.2034 16 KVEC( 669) = -9 -1 -9 9.2048 16 KVEC( 670) = -5 -2 -15 9.2150 16 KVEC( 671) = -10 -3 -3 9.2203 16 KVEC( 672) = -6 -2 -14 9.2264 16 KVEC( 673) = -7 -1 -13 9.2270 16 KVEC( 674) = -5 -5 -13 9.2270 8 KVEC( 675) = -3 -3 -16 9.2340 8 KVEC( 676) = -8 -5 -8 9.2341 16 KVEC( 677) = -8 -2 -11 9.2373 16 KVEC( 678) = -8 -7 0 9.2478 8 KVEC( 679) = -10 -2 -5 9.2578 16 KVEC( 680) = -10 0 -6 9.2606 8 KVEC( 681) = -8 -6 -6 9.2606 16 KVEC( 682) = -8 -7 -1 9.2630 16 KVEC( 683) = -5 -4 -14 9.2673 16 KVEC( 684) = -9 -3 -8 9.2750 16 KVEC( 685) = -6 -5 -12 9.2987 16 KVEC( 686) = -10 -1 -6 9.3014 16 KVEC( 687) = -8 -7 -2 9.3082 16 KVEC( 688) = -6 -4 -13 9.3087 16 KVEC( 689) = -4 -2 -16 9.3156 16 KVEC( 690) = -2 -2 -17 9.3238 8 KVEC( 691) = -10 -3 -4 9.3259 16 KVEC( 692) = -9 -2 -9 9.3274 16 KVEC( 693) = -7 -6 -9 9.3274 16 KVEC( 694) = -9 -4 -7 9.3341 16 KVEC( 695) = -4 -4 -15 9.3374 8 KVEC( 696) = -9 -5 -5 9.3392 16 KVEC( 697) = -7 -2 -13 9.3492 16 KVEC( 698) = -3 0 -17 9.3643 8 KVEC( 699) = -10 -4 0 9.3698 8 KVEC( 700) = -7 -7 -7 9.3746 8 KVEC( 701) = -8 -7 -3 9.3830 16 KVEC( 702) = -10 -4 -1 9.3847 16 KVEC( 703) = -6 -6 -11 9.3997 8 KVEC( 704) = -3 -1 -17 9.4046 16 KVEC( 705) = -8 -4 -10 9.4092 16 KVEC( 706) = -9 -6 0 9.4101 8 KVEC( 707) = -5 -3 -15 9.4181 16 KVEC( 708) = -8 0 -12 9.4200 8 KVEC( 709) = -10 -2 -6 9.4226 16 KVEC( 710) = -9 -6 -1 9.4250 16 KVEC( 711) = -6 -3 -14 9.4292 16 KVEC( 712) = -10 -4 -2 9.4294 16 KVEC( 713) = -8 -3 -11 9.4399 16 KVEC( 714) = -9 0 -10 9.4493 8 KVEC( 715) = -10 0 -7 9.4550 8 KVEC( 716) = -8 -6 -7 9.4550 16 KVEC( 717) = -10 -3 -5 9.4600 16 KVEC( 718) = -8 -1 -12 9.4601 16 KVEC( 719) = -7 -4 -12 9.4601 16 KVEC( 720) = -9 -6 -2 9.4694 16 KVEC( 721) = -7 -5 -11 9.4799 16 KVEC( 722) = -8 -7 -4 9.4869 16 KVEC( 723) = -8 -5 -9 9.4883 16 KVEC( 724) = -9 -1 -10 9.4893 16 KVEC( 725) = -10 -1 -7 9.4949 16 KVEC( 726) = -6 0 -15 9.4981 8 KVEC( 727) = -9 -5 -6 9.5026 16 KVEC( 728) = -10 -4 -3 9.5033 16 KVEC( 729) = -5 0 -16 9.5165 8 KVEC( 730) = -4 -3 -16 9.5165 16 KVEC( 731) = 0 0 -18 9.5223 2 KVEC( 732) = -3 -2 -17 9.5246 16 KVEC( 733) = -9 -3 -9 9.5281 16 KVEC( 734) = -6 -1 -15 9.5379 16 KVEC( 735) = -9 -6 -3 9.5430 16 KVEC( 736) = -7 -3 -13 9.5495 16 KVEC( 737) = -5 -1 -16 9.5562 16 KVEC( 738) = -9 -4 -8 9.5564 16 KVEC( 739) = -1 0 -18 9.5619 8 KVEC( 740) = -11 0 0 9.5696 4 KVEC( 741) = -8 -2 -12 9.5794 16 KVEC( 742) = -11 0 -1 9.5842 8 KVEC( 743) = -7 0 -14 9.5884 8 KVEC( 744) = -7 -7 -8 9.5959 8 KVEC( 745) = -1 -1 -18 9.6014 8 KVEC( 746) = -10 -4 -4 9.6058 16 KVEC( 747) = -9 -2 -10 9.6082 16 KVEC( 748) = -7 -6 -10 9.6082 16 KVEC( 749) = -11 -1 0 9.6091 8 KVEC( 750) = -10 -2 -7 9.6138 16 KVEC( 751) = -8 -7 -5 9.6187 16 KVEC( 752) = -10 -3 -6 9.6213 16 KVEC( 753) = -11 -1 -1 9.6236 16 KVEC( 754) = -7 -1 -14 9.6278 16 KVEC( 755) = -5 -5 -14 9.6278 8 KVEC( 756) = -11 0 -2 9.6279 8 KVEC( 757) = -4 0 -17 9.6430 8 KVEC( 758) = -9 -6 -4 9.6451 16 KVEC( 759) = -6 -2 -15 9.6562 16 KVEC( 760) = -11 -1 -2 9.6671 16 KVEC( 761) = -6 -5 -13 9.6676 16 KVEC( 762) = -5 -2 -16 9.6743 16 KVEC( 763) = -10 0 -8 9.6744 8 KVEC( 764) = -8 -6 -8 9.6744 16 KVEC( 765) = -2 0 -18 9.6799 8 KVEC( 766) = -4 -1 -17 9.6822 16 KVEC( 767) = -9 -5 -7 9.6922 16 KVEC( 768) = -5 -4 -15 9.6953 16 KVEC( 769) = -11 0 -3 9.7003 8 KVEC( 770) = -6 -4 -14 9.7061 16 KVEC( 771) = -10 -1 -8 9.7135 16 KVEC( 772) = -8 -4 -11 9.7165 16 KVEC( 773) = -2 -1 -18 9.7190 16 KVEC( 774) = -3 -3 -17 9.7212 8 KVEC( 775) = -11 -2 0 9.7265 8 KVEC( 776) = -10 -5 0 9.7265 8 KVEC( 777) = -10 -4 -5 9.7360 16 KVEC( 778) = -6 -6 -12 9.7361 8 KVEC( 779) = -11 -1 -3 9.7392 16 KVEC( 780) = -11 -2 -1 9.7409 16 KVEC( 781) = -10 -5 -1 9.7409 16 KVEC( 782) = -7 -2 -14 9.7450 16 KVEC( 783) = -9 0 -11 9.7553 8 KVEC( 784) = -8 -5 -10 9.7644 16 KVEC( 785) = -9 -6 -5 9.7748 16 KVEC( 786) = -8 -3 -12 9.7749 16 KVEC( 787) = -8 -7 -6 9.7774 16 KVEC( 788) = -11 -2 -2 9.7839 16 KVEC( 789) = -10 -5 -2 9.7839 16 KVEC( 790) = -8 0 -13 9.7844 8 KVEC( 791) = -4 -4 -16 9.7909 8 KVEC( 792) = -9 -1 -11 9.7941 16 KVEC( 793) = -4 -2 -17 9.7988 16 KVEC( 794) = -11 0 -4 9.8008 8 KVEC( 795) = -9 -4 -9 9.8021 16 KVEC( 796) = -9 -3 -10 9.8031 16 KVEC( 797) = -10 -3 -7 9.8086 16 KVEC( 798) = -7 -5 -12 9.8135 16 KVEC( 799) = -8 -1 -13 9.8230 16 KVEC( 800) = -7 -4 -13 9.8230 16 KVEC( 801) = -10 -2 -8 9.8297 16 KVEC( 802) = -2 -2 -18 9.8351 8 KVEC( 803) = -11 -1 -4 9.8393 16 KVEC( 804) = -7 -7 -9 9.8407 8 KVEC( 805) = -8 -8 0 9.8425 4 KVEC( 806) = -6 -3 -15 9.8502 16 KVEC( 807) = -11 -2 -3 9.8551 16 KVEC( 808) = -10 -5 -3 9.8551 16 KVEC( 809) = -8 -8 -1 9.8567 8 KVEC( 810) = -5 -3 -16 9.8679 16 KVEC( 811) = -3 0 -18 9.8735 8 KVEC( 812) = -10 -4 -6 9.8928 16 KVEC( 813) = -8 -8 -2 9.8992 8 KVEC( 814) = -9 -5 -8 9.9063 16 KVEC( 815) = -9 -2 -11 9.9093 16 KVEC( 816) = -7 -6 -11 9.9093 16 KVEC( 817) = -3 -1 -18 9.9117 16 KVEC( 818) = -10 0 -9 9.9173 8 KVEC( 819) = -8 -6 -9 9.9173 16 KVEC( 820) = -11 -3 0 9.9191 8 KVEC( 821) = -9 -7 0 9.9191 8 KVEC( 822) = -11 0 -5 9.9284 8 KVEC( 823) = -9 -6 -6 9.9310 16 KVEC( 824) = -11 -3 -1 9.9332 16 KVEC( 825) = -9 -7 -1 9.9332 16 KVEC( 826) = -7 -3 -14 9.9372 16 KVEC( 827) = -8 -2 -13 9.9379 16 KVEC( 828) = -6 0 -16 9.9443 8 KVEC( 829) = -11 -2 -4 9.9540 16 KVEC( 830) = -10 -5 -4 9.9540 16 KVEC( 831) = -10 -1 -9 9.9554 16 KVEC( 832) = -8 -7 -7 9.9617 16 KVEC( 833) = -11 -1 -5 9.9665 16 KVEC( 834) = -8 -8 -3 9.9697 8 KVEC( 835) = -11 -3 -2 9.9754 16 KVEC( 836) = -9 -7 -2 9.9754 16 KVEC( 837) = -6 -1 -16 9.9823 16 KVEC( 838) = -5 0 -17 9.9900 8 KVEC( 839) = -4 -3 -17 9.9900 16 KVEC( 840) = -7 0 -15 10.0027 8 KVEC( 841) = -10 -3 -8 10.0203 16 KVEC( 842) = -3 -2 -18 10.0256 16 KVEC( 843) = -5 -1 -17 10.0278 16 KVEC( 844) = -7 -1 -15 10.0404 16 KVEC( 845) = -5 -5 -15 10.0404 8 KVEC( 846) = -8 -4 -12 10.0422 16 KVEC( 847) = -11 -3 -3 10.0453 16 KVEC( 848) = -9 -7 -3 10.0453 16 KVEC( 849) = -6 -5 -14 10.0508 16 KVEC( 850) = 0 0 -19 10.0513 2 KVEC( 851) = -8 -5 -11 10.0609 16 KVEC( 852) = -8 -8 -4 10.0674 8 KVEC( 853) = -10 -2 -9 10.0687 16 KVEC( 854) = -9 -4 -10 10.0697 16 KVEC( 855) = -10 -4 -7 10.0750 16 KVEC( 856) = -11 -2 -5 10.0797 16 KVEC( 857) = -10 -5 -5 10.0797 16 KVEC( 858) = -9 0 -12 10.0799 8 KVEC( 859) = -11 0 -6 10.0823 8 KVEC( 860) = -1 0 -19 10.0889 8 KVEC( 861) = -6 -6 -13 10.0890 8 KVEC( 862) = -6 -2 -16 10.0954 16 KVEC( 863) = -9 -3 -11 10.0984 16 KVEC( 864) = -7 -7 -10 10.1072 8 KVEC( 865) = -9 -6 -7 10.1125 16 KVEC( 866) = -6 -4 -15 10.1155 16 KVEC( 867) = -9 -1 -12 10.1173 16 KVEC( 868) = -11 -1 -6 10.1197 16 KVEC( 869) = -1 -1 -19 10.1263 8 KVEC( 870) = -8 -3 -13 10.1265 16 KVEC( 871) = -5 -4 -16 10.1328 16 KVEC( 872) = -4 0 -18 10.1382 8 KVEC( 873) = -5 -2 -17 10.1404 16 KVEC( 874) = -11 -3 -4 10.1423 16 KVEC( 875) = -9 -7 -4 10.1423 16 KVEC( 876) = -9 -5 -9 10.1436 16 KVEC( 877) = -10 -6 0 10.1454 8 KVEC( 878) = -7 -2 -15 10.1529 16 KVEC( 879) = -10 -6 -1 10.1592 16 KVEC( 880) = -8 0 -14 10.1632 8 KVEC( 881) = -7 -5 -13 10.1638 16 KVEC( 882) = -8 -7 -8 10.1702 16 KVEC( 883) = -4 -1 -18 10.1755 16 KVEC( 884) = -10 0 -10 10.1818 8 KVEC( 885) = -8 -6 -10 10.1818 16 KVEC( 886) = -11 -4 0 10.1827 8 KVEC( 887) = -8 -8 -5 10.1917 8 KVEC( 888) = -11 -4 -1 10.1964 16 KVEC( 889) = -8 -1 -14 10.2003 16 KVEC( 890) = -7 -4 -14 10.2003 16 KVEC( 891) = -10 -6 -2 10.2005 16 KVEC( 892) = -2 0 -19 10.2008 8 KVEC( 893) = -3 -3 -18 10.2126 8 KVEC( 894) = -10 -1 -10 10.2189 16 KVEC( 895) = -9 -2 -12 10.2289 16 KVEC( 896) = -7 -6 -12 10.2289 16 KVEC( 897) = -11 -2 -6 10.2313 16 KVEC( 898) = -10 -5 -6 10.2313 16 KVEC( 899) = -11 -4 -2 10.2375 16 KVEC( 900) = -2 -1 -19 10.2378 16 KVEC( 901) = -4 -4 -17 10.2517 8 KVEC( 902) = -10 -3 -9 10.2549 16 KVEC( 903) = -11 0 -7 10.2611 8 KVEC( 904) = -11 -3 -5 10.2657 16 KVEC( 905) = -9 -7 -5 10.2657 16 KVEC( 906) = -10 -6 -3 10.2688 16 KVEC( 907) = -6 -3 -16 10.2811 16 KVEC( 908) = -10 -4 -8 10.2813 16 KVEC( 909) = -4 -2 -18 10.2864 16 KVEC( 910) = -11 -1 -7 10.2979 16 KVEC( 911) = -11 -4 -3 10.3056 16 KVEC( 912) = -8 -2 -14 10.3110 16 KVEC( 913) = -9 -6 -8 10.3180 16 KVEC( 914) = -5 -3 -17 10.3253 16 KVEC( 915) = -10 -2 -10 10.3294 16 KVEC( 916) = -7 -3 -15 10.3375 16 KVEC( 917) = -8 -8 -6 10.3417 8 KVEC( 918) = -2 -2 -19 10.3481 8 KVEC( 919) = -9 -4 -11 10.3574 16 KVEC( 920) = -10 -6 -4 10.3638 16 KVEC( 921) = -8 -5 -12 10.3758 16 KVEC( 922) = -3 0 -19 10.3846 8 KVEC( 923) = -8 -4 -13 10.3847 16 KVEC( 924) = -7 -7 -11 10.3939 8 KVEC( 925) = -6 0 -17 10.3983 8 KVEC( 926) = -11 -4 -4 10.4002 16 KVEC( 927) = -8 -7 -9 10.4015 16 KVEC( 928) = -9 -5 -10 10.4024 16 KVEC( 929) = -11 -2 -7 10.4076 16 KVEC( 930) = -10 -5 -7 10.4076 16 KVEC( 931) = -9 -3 -12 10.4122 16 KVEC( 932) = -11 -3 -6 10.4146 16 KVEC( 933) = -9 -7 -6 10.4146 16 KVEC( 934) = -3 -1 -19 10.4210 16 KVEC( 935) = -9 0 -13 10.4211 8 KVEC( 936) = -7 0 -16 10.4273 8 KVEC( 937) = -6 -1 -17 10.4346 16 KVEC( 938) = -12 0 0 10.4396 4 KVEC( 939) = -6 -5 -15 10.4468 16 KVEC( 940) = -12 0 -1 10.4530 8 KVEC( 941) = -6 -6 -14 10.4568 8 KVEC( 942) = -9 -1 -13 10.4574 16 KVEC( 943) = -7 -1 -16 10.4635 16 KVEC( 944) = -5 -5 -16 10.4635 8 KVEC( 945) = -11 0 -8 10.4637 8 KVEC( 946) = -10 0 -11 10.4665 8 KVEC( 947) = -8 -6 -11 10.4665 16 KVEC( 948) = -5 0 -18 10.4688 8 KVEC( 949) = -4 -3 -18 10.4688 16 KVEC( 950) = -12 -1 0 10.4758 8 KVEC( 951) = -9 -8 0 10.4758 8 KVEC( 952) = -10 -6 -5 10.4846 16 KVEC( 953) = -12 -1 -1 10.4891 16 KVEC( 954) = -9 -8 -1 10.4891 16 KVEC( 955) = -8 -3 -14 10.4929 16 KVEC( 956) = -12 0 -2 10.4931 8 KVEC( 957) = -11 -1 -8 10.4998 16 KVEC( 958) = -10 -1 -11 10.5025 16 KVEC( 959) = -5 -1 -18 10.5048 16 KVEC( 960) = -10 -4 -9 10.5101 16 KVEC( 961) = -10 -3 -10 10.5110 16 KVEC( 962) = -11 -5 0 10.5118 8 KVEC( 963) = -8 -8 -7 10.5161 8 KVEC( 964) = -11 -4 -5 10.5206 16 KVEC( 965) = -11 -5 -1 10.5251 16 KVEC( 966) = -7 -5 -14 10.5289 16 KVEC( 967) = -12 -1 -2 10.5291 16 KVEC( 968) = -9 -8 -2 10.5291 16 KVEC( 969) = -3 -2 -19 10.5294 16 KVEC( 970) = -6 -4 -16 10.5356 16 KVEC( 971) = -6 -2 -17 10.5429 16 KVEC( 972) = -9 -6 -9 10.5460 16 KVEC( 973) = -8 0 -15 10.5549 8 KVEC( 974) = -12 0 -3 10.5595 8 KVEC( 975) = -11 -5 -2 10.5649 16 KVEC( 976) = -9 -2 -13 10.5654 16 KVEC( 977) = -7 -6 -13 10.5654 16 KVEC( 978) = -7 -2 -16 10.5715 16 KVEC( 979) = -5 -4 -17 10.5787 16 KVEC( 980) = 0 0 -20 10.5803 2 KVEC( 981) = -12 -2 0 10.5836 8 KVEC( 982) = -11 -3 -7 10.5878 16 KVEC( 983) = -9 -7 -7 10.5878 16 KVEC( 984) = -8 -1 -15 10.5907 16 KVEC( 985) = -7 -4 -15 10.5907 16 KVEC( 986) = -12 -1 -3 10.5953 16 KVEC( 987) = -9 -8 -3 10.5953 16 KVEC( 988) = -12 -2 -1 10.5968 16 KVEC( 989) = -11 -2 -8 10.6073 16 KVEC( 990) = -10 -5 -8 10.6073 16 KVEC( 991) = -10 -2 -11 10.6101 16 KVEC( 992) = -5 -2 -18 10.6124 16 KVEC( 993) = -1 0 -20 10.6160 8 KVEC( 994) = -10 -7 0 10.6193 8 KVEC( 995) = -10 -6 -6 10.6304 16 KVEC( 996) = -11 -5 -3 10.6309 16 KVEC( 997) = -10 -7 -1 10.6324 16 KVEC( 998) = -12 -2 -2 10.6363 16 KVEC( 999) = -4 0 -19 10.6366 8 KVEC( 1000) = -1 -1 -20 10.6516 8 KVEC( 1001) = -12 0 -4 10.6519 8 KVEC( 1002) = -8 -7 -10 10.6540 16 KVEC( 1003) = -9 -4 -12 10.6636 16 KVEC( 1004) = -11 -4 -6 10.6659 16 KVEC( 1005) = -10 -7 -2 10.6718 16 KVEC( 1006) = -4 -1 -19 10.6722 16 KVEC( 1007) = -9 -5 -11 10.6812 16 KVEC( 1008) = -12 -1 -4 10.6873 16 KVEC( 1009) = -9 -8 -4 10.6873 16 KVEC( 1010) = -11 0 -9 10.6886 8 KVEC( 1011) = -8 -2 -15 10.6973 16 KVEC( 1012) = -7 -7 -12 10.6990 8 KVEC( 1013) = -12 -2 -3 10.7019 16 KVEC( 1014) = -3 -3 -19 10.7076 8 KVEC( 1015) = -8 -5 -13 10.7077 16 KVEC( 1016) = -8 -8 -8 10.7138 8 KVEC( 1017) = -4 -4 -18 10.7188 8 KVEC( 1018) = -6 -3 -17 10.7208 16 KVEC( 1019) = -2 0 -20 10.7224 8 KVEC( 1020) = -11 -5 -4 10.7227 16 KVEC( 1021) = -11 -1 -9 10.7239 16 KVEC( 1022) = -10 -7 -3 10.7372 16 KVEC( 1023) = -8 -4 -14 10.7424 16 KVEC( 1024) = -9 -3 -13 10.7430 16 KVEC( 1025) = -7 -3 -16 10.7490 16 KVEC( 1026) = -2 -1 -20 10.7577 16 KVEC( 1027) = -10 -4 -10 10.7601 16 KVEC( 1028) = -12 -3 0 10.7609 8 KVEC( 1029) = -12 0 -5 10.7695 8 KVEC( 1030) = -10 0 -12 10.7696 8 KVEC( 1031) = -8 -6 -12 10.7696 16 KVEC( 1032) = -12 -3 -1 10.7739 16 KVEC( 1033) = -9 0 -14 10.7776 8 KVEC( 1034) = -4 -2 -19 10.7780 16 KVEC( 1035) = -11 -3 -8 10.7842 16 KVEC( 1036) = -9 -7 -8 10.7842 16 KVEC( 1037) = -10 -3 -11 10.7869 16 KVEC( 1038) = -5 -3 -18 10.7892 16 KVEC( 1039) = -12 -2 -4 10.7930 16 KVEC( 1040) = -9 -6 -10 10.7952 16 KVEC( 1041) = -10 -6 -7 10.8001 16 KVEC( 1042) = -12 -1 -5 10.8045 16 KVEC( 1043) = -9 -8 -5 10.8045 16 KVEC( 1044) = -10 -1 -12 10.8046 16 KVEC( 1045) = -9 -1 -14 10.8126 16 KVEC( 1046) = -12 -3 -2 10.8128 16 KVEC( 1047) = -10 -7 -4 10.8280 16 KVEC( 1048) = -11 -2 -9 10.8293 16 KVEC( 1049) = -10 -5 -9 10.8293 16 KVEC( 1050) = -11 -4 -7 10.8351 16 KVEC( 1051) = -6 -6 -15 10.8379 8 KVEC( 1052) = -11 -5 -5 10.8395 16 KVEC( 1053) = -6 -5 -16 10.8541 16 KVEC( 1054) = -6 0 -18 10.8591 8 KVEC( 1055) = -7 0 -17 10.8611 8 KVEC( 1056) = -2 -2 -20 10.8627 8 KVEC( 1057) = -8 -3 -15 10.8728 16 KVEC( 1058) = -12 -3 -3 10.8773 16 KVEC( 1059) = -6 -1 -18 10.8939 16 KVEC( 1060) = -7 -1 -17 10.8959 16 KVEC( 1061) = -5 -5 -17 10.8959 8 KVEC( 1062) = -3 0 -20 10.8975 8 KVEC( 1063) = -11 -6 0 10.9006 8 KVEC( 1064) = -7 -5 -15 10.9075 16 KVEC( 1065) = -12 -2 -5 10.9091 16 KVEC( 1066) = -10 -2 -12 10.9092 16 KVEC( 1067) = -12 0 -6 10.9114 8 KVEC( 1068) = -11 -6 -1 10.9135 16 KVEC( 1069) = -9 -2 -14 10.9171 16 KVEC( 1070) = -7 -6 -14 10.9171 16 KVEC( 1071) = -8 -7 -11 10.9264 16 KVEC( 1072) = -3 -1 -20 10.9321 16 KVEC( 1073) = -8 -8 -9 10.9336 8 KVEC( 1074) = -11 0 -10 10.9345 8 KVEC( 1075) = -10 -7 -5 10.9437 16 KVEC( 1076) = -12 -1 -6 10.9461 16 KVEC( 1077) = -9 -8 -6 10.9461 16 KVEC( 1078) = -11 -6 -2 10.9519 16 KVEC( 1079) = -5 0 -19 10.9522 8 KVEC( 1080) = -4 -3 -19 10.9522 16 KVEC( 1081) = -8 0 -16 10.9582 8 KVEC( 1082) = -6 -4 -17 10.9651 16 KVEC( 1083) = -12 -3 -4 10.9669 16 KVEC( 1084) = -11 -1 -10 10.9690 16 KVEC( 1085) = -9 -5 -12 10.9784 16 KVEC( 1086) = -11 -5 -6 10.9806 16 KVEC( 1087) = -5 -1 -19 10.9866 16 KVEC( 1088) = -9 -4 -13 10.9868 16 KVEC( 1089) = -8 -1 -16 10.9926 16 KVEC( 1090) = -7 -4 -16 10.9926 16 KVEC( 1091) = -10 -6 -8 10.9928 16 KVEC( 1092) = -6 -2 -18 10.9976 16 KVEC( 1093) = -7 -2 -17 10.9996 16 KVEC( 1094) = -11 -3 -9 11.0026 16 KVEC( 1095) = -9 -7 -9 11.0026 16 KVEC( 1096) = -12 -4 0 11.0043 8 KVEC( 1097) = -11 -6 -3 11.0155 16 KVEC( 1098) = -12 -4 -1 11.0170 16 KVEC( 1099) = -7 -7 -13 11.0212 8 KVEC( 1100) = -11 -4 -8 11.0271 16 KVEC( 1101) = -10 -4 -11 11.0298 16 KVEC( 1102) = -5 -4 -18 11.0320 16 KVEC( 1103) = -3 -2 -20 11.0355 16 KVEC( 1104) = -12 -2 -6 11.0493 16 KVEC( 1105) = -8 -5 -14 11.0549 16 KVEC( 1106) = -12 -4 -2 11.0550 16 KVEC( 1107) = -9 -6 -11 11.0640 16 KVEC( 1108) = -11 -2 -10 11.0721 16 KVEC( 1109) = -10 -5 -10 11.0721 16 KVEC( 1110) = -9 -9 0 11.0728 4 KVEC( 1111) = -12 0 -7 11.0769 8 KVEC( 1112) = -12 -3 -5 11.0812 16 KVEC( 1113) = -10 -3 -12 11.0813 16 KVEC( 1114) = -10 -7 -6 11.0835 16 KVEC( 1115) = -9 -9 -1 11.0855 8 KVEC( 1116) = -9 -3 -14 11.0891 16 KVEC( 1117) = -5 -2 -19 11.0895 16 KVEC( 1118) = -10 0 -13 11.0896 8 KVEC( 1119) = -8 -6 -13 11.0896 16 KVEC( 1120) = -8 -2 -16 11.0954 16 KVEC( 1121) = -11 -6 -4 11.1041 16 KVEC( 1122) = 0 0 -21 11.1093 2 KVEC( 1123) = -12 -1 -7 11.1110 16 KVEC( 1124) = -9 -8 -7 11.1110 16 KVEC( 1125) = -8 -4 -15 11.1137 16 KVEC( 1126) = -12 -4 -3 11.1181 16 KVEC( 1127) = -9 -9 -2 11.1233 8 KVEC( 1128) = -10 -1 -13 11.1237 16 KVEC( 1129) = -4 0 -20 11.1379 8 KVEC( 1130) = -10 -8 0 11.1410 8 KVEC( 1131) = -1 0 -21 11.1433 8 KVEC( 1132) = -11 -5 -7 11.1450 16 KVEC( 1133) = -9 0 -15 11.1477 8 KVEC( 1134) = -10 -8 -1 11.1535 16 KVEC( 1135) = -6 -3 -18 11.1683 16 KVEC( 1136) = -7 -3 -17 11.1703 16 KVEC( 1137) = -4 -1 -20 11.1718 16 KVEC( 1138) = -8 -8 -10 11.1741 8 KVEC( 1139) = -1 -1 -21 11.1773 8 KVEC( 1140) = -9 -1 -15 11.1816 16 KVEC( 1141) = -9 -9 -3 11.1860 8 KVEC( 1142) = -10 -8 -2 11.1911 16 KVEC( 1143) = -4 -4 -19 11.1914 8 KVEC( 1144) = -11 0 -11 11.2000 8 KVEC( 1145) = -3 -3 -20 11.2056 8 KVEC( 1146) = -12 -4 -4 11.2059 16 KVEC( 1147) = -10 -6 -9 11.2071 16 KVEC( 1148) = -12 -2 -7 11.2127 16 KVEC( 1149) = -11 -6 -5 11.2170 16 KVEC( 1150) = -8 -7 -12 11.2171 16 KVEC( 1151) = -12 -3 -6 11.2192 16 KVEC( 1152) = -10 -2 -13 11.2253 16 KVEC( 1153) = -6 -6 -16 11.2310 8 KVEC( 1154) = -11 -1 -11 11.2337 16 KVEC( 1155) = -11 -4 -9 11.2408 16 KVEC( 1156) = -11 -3 -10 11.2417 16 KVEC( 1157) = -9 -7 -10 11.2417 16 KVEC( 1158) = -2 0 -21 11.2448 8 KVEC( 1159) = -10 -7 -7 11.2464 16 KVEC( 1160) = -10 -8 -3 11.2535 16 KVEC( 1161) = -5 -3 -19 11.2588 16 KVEC( 1162) = -8 -3 -16 11.2647 16 KVEC( 1163) = -12 0 -8 11.2648 8 KVEC( 1164) = -6 -5 -17 11.2715 16 KVEC( 1165) = -4 -2 -20 11.2730 16 KVEC( 1166) = -9 -9 -4 11.2732 8 KVEC( 1167) = -2 -1 -21 11.2784 16 KVEC( 1168) = -9 -2 -15 11.2827 16 KVEC( 1169) = -7 -6 -15 11.2827 16 KVEC( 1170) = -9 -5 -13 11.2925 16 KVEC( 1171) = -7 -5 -16 11.2982 16 KVEC( 1172) = -12 -1 -8 11.2983 16 KVEC( 1173) = -9 -8 -8 11.2983 16 KVEC( 1174) = -7 0 -18 11.3031 8 KVEC( 1175) = -13 0 0 11.3095 4 KVEC( 1176) = -12 -5 0 11.3095 8 KVEC( 1177) = -12 -4 -5 11.3177 16 KVEC( 1178) = -10 -4 -12 11.3178 16 KVEC( 1179) = -13 0 -1 11.3219 8 KVEC( 1180) = -12 -5 -1 11.3219 16 KVEC( 1181) = -9 -4 -14 11.3254 16 KVEC( 1182) = -6 0 -19 11.3258 8 KVEC( 1183) = -11 -5 -8 11.3318 16 KVEC( 1184) = -11 -2 -11 11.3344 16 KVEC( 1185) = -10 -5 -11 11.3344 16 KVEC( 1186) = -7 -1 -18 11.3365 16 KVEC( 1187) = -5 -5 -18 11.3365 8 KVEC( 1188) = -10 -8 -4 11.3402 16 KVEC( 1189) = -13 -1 0 11.3429 8 KVEC( 1190) = -11 -7 0 11.3429 8 KVEC( 1191) = -9 -6 -12 11.3512 16 KVEC( 1192) = -11 -6 -6 11.3533 16 KVEC( 1193) = -13 -1 -1 11.3553 16 KVEC( 1194) = -11 -7 -1 11.3553 16 KVEC( 1195) = -7 -7 -14 11.3588 8 KVEC( 1196) = -13 0 -2 11.3589 8 KVEC( 1197) = -12 -5 -2 11.3589 16 KVEC( 1198) = -6 -1 -19 11.3592 16 KVEC( 1199) = -8 0 -17 11.3717 8 KVEC( 1200) = -2 -2 -21 11.3786 8 KVEC( 1201) = -12 -3 -7 11.3802 16 KVEC( 1202) = -9 -9 -5 11.3844 8 KVEC( 1203) = -13 -1 -2 11.3922 16 KVEC( 1204) = -11 -7 -2 11.3922 16 KVEC( 1205) = -10 -3 -13 11.3926 16 KVEC( 1206) = -12 -2 -8 11.3984 16 KVEC( 1207) = -6 -4 -18 11.4030 16 KVEC( 1208) = -8 -1 -17 11.4050 16 KVEC( 1209) = -7 -4 -17 11.4050 16 KVEC( 1210) = -3 0 -21 11.4118 8 KVEC( 1211) = -8 -5 -15 11.4161 16 KVEC( 1212) = -13 0 -3 11.4203 8 KVEC( 1213) = -12 -5 -3 11.4203 16 KVEC( 1214) = -10 0 -14 11.4252 8 KVEC( 1215) = -8 -6 -14 11.4252 16 KVEC( 1216) = -10 -7 -8 11.4315 16 KVEC( 1217) = -8 -8 -11 11.4341 8 KVEC( 1218) = -7 -2 -18 11.4362 16 KVEC( 1219) = -5 0 -20 11.4396 8 KVEC( 1220) = -4 -3 -20 11.4396 16 KVEC( 1221) = -10 -6 -10 11.4418 16 KVEC( 1222) = -13 -2 0 11.4426 8 KVEC( 1223) = -3 -1 -21 11.4449 16 KVEC( 1224) = -9 -3 -15 11.4492 16 KVEC( 1225) = -10 -8 -5 11.4507 16 KVEC( 1226) = -12 -4 -6 11.4529 16 KVEC( 1227) = -13 -1 -3 11.4534 16 KVEC( 1228) = -11 -7 -3 11.4534 16 KVEC( 1229) = -13 -2 -1 11.4548 16 KVEC( 1230) = -10 -1 -14 11.4583 16 KVEC( 1231) = -6 -2 -19 11.4587 16 KVEC( 1232) = -5 -1 -20 11.4726 16 KVEC( 1233) = -12 0 -9 11.4740 8 KVEC( 1234) = -11 -4 -10 11.4749 16 KVEC( 1235) = -11 0 -12 11.4838 8 KVEC( 1236) = -13 -2 -2 11.4914 16 KVEC( 1237) = -5 -4 -19 11.4917 16 KVEC( 1238) = -8 -4 -16 11.4974 16 KVEC( 1239) = -11 -3 -11 11.5001 16 KVEC( 1240) = -9 -7 -11 11.5001 16 KVEC( 1241) = -8 -2 -17 11.5041 16 KVEC( 1242) = -13 0 -4 11.5058 8 KVEC( 1243) = -12 -5 -4 11.5058 16 KVEC( 1244) = -12 -1 -9 11.5070 16 KVEC( 1245) = -9 -8 -9 11.5070 16 KVEC( 1246) = -11 -6 -7 11.5125 16 KVEC( 1247) = -11 -1 -12 11.5167 16 KVEC( 1248) = -9 -9 -6 11.5188 8 KVEC( 1249) = -8 -7 -13 11.5247 16 KVEC( 1250) = -9 0 -16 11.5303 8 KVEC( 1251) = -13 -1 -4 11.5386 16 KVEC( 1252) = -11 -7 -4 11.5386 16 KVEC( 1253) = -11 -5 -9 11.5398 16 KVEC( 1254) = -3 -2 -21 11.5437 16 KVEC( 1255) = -13 -2 -3 11.5521 16 KVEC( 1256) = -10 -2 -14 11.5570 16 KVEC( 1257) = -9 -1 -16 11.5631 16 KVEC( 1258) = -12 -3 -8 11.5632 16 KVEC( 1259) = -5 -2 -20 11.5711 16 KVEC( 1260) = -10 -8 -6 11.5843 16 KVEC( 1261) = -7 -3 -18 11.6005 16 KVEC( 1262) = -12 -2 -9 11.6052 16 KVEC( 1263) = -13 -3 0 11.6068 8 KVEC( 1264) = -12 -4 -7 11.6106 16 KVEC( 1265) = -13 0 -5 11.6147 8 KVEC( 1266) = -12 -5 -5 11.6147 16 KVEC( 1267) = -11 -2 -12 11.6148 16 KVEC( 1268) = -10 -5 -12 11.6148 16 KVEC( 1269) = -13 -3 -1 11.6188 16 KVEC( 1270) = -9 -5 -14 11.6223 16 KVEC( 1271) = -6 -3 -19 11.6227 16 KVEC( 1272) = -10 -4 -13 11.6228 16 KVEC( 1273) = -6 -6 -17 11.6349 8 KVEC( 1274) = -13 -2 -4 11.6366 16 KVEC( 1275) = -10 -7 -9 11.6378 16 KVEC( 1276) = 0 0 -22 11.6383 2 KVEC( 1277) = -4 0 -21 11.6416 8 KVEC( 1278) = -13 -1 -5 11.6473 16 KVEC( 1279) = -11 -7 -5 11.6473 16 KVEC( 1280) = -13 -3 -2 11.6549 16 KVEC( 1281) = -9 -6 -13 11.6553 16 KVEC( 1282) = -9 -2 -16 11.6608 16 KVEC( 1283) = -7 -6 -16 11.6608 16 KVEC( 1284) = -8 -3 -17 11.6674 16 KVEC( 1285) = -4 -4 -20 11.6688 8 KVEC( 1286) = -1 0 -22 11.6708 8 KVEC( 1287) = -12 -6 0 11.6718 8 KVEC( 1288) = -4 -1 -21 11.6741 16 KVEC( 1289) = -9 -9 -7 11.6757 8 KVEC( 1290) = -9 -4 -15 11.6782 16 KVEC( 1291) = -12 -6 -1 11.6838 16 KVEC( 1292) = -11 -6 -8 11.6934 16 KVEC( 1293) = -10 -6 -11 11.6958 16 KVEC( 1294) = -6 -5 -18 11.6979 16 KVEC( 1295) = -7 -5 -17 11.6998 16 KVEC( 1296) = -1 -1 -22 11.7032 8 KVEC( 1297) = -12 0 -10 11.7034 8 KVEC( 1298) = -10 -9 0 11.7042 8 KVEC( 1299) = -3 -3 -21 11.7064 8 KVEC( 1300) = -7 -7 -15 11.7106 8 KVEC( 1301) = -8 -8 -12 11.7122 8 KVEC( 1302) = -13 -3 -3 11.7148 16 KVEC( 1303) = -10 -9 -1 11.7161 16 KVEC( 1304) = -10 -3 -14 11.7195 16 KVEC( 1305) = -12 -6 -2 11.7197 16 KVEC( 1306) = -11 -4 -11 11.7282 16 KVEC( 1307) = -5 -3 -20 11.7335 16 KVEC( 1308) = -12 -1 -10 11.7357 16 KVEC( 1309) = -9 -8 -10 11.7357 16 KVEC( 1310) = -10 -8 -7 11.7403 16 KVEC( 1311) = -13 -2 -5 11.7443 16 KVEC( 1312) = -13 0 -6 11.7465 8 KVEC( 1313) = -12 -5 -6 11.7465 16 KVEC( 1314) = -10 -9 -2 11.7519 16 KVEC( 1315) = -7 0 -19 11.7522 8 KVEC( 1316) = -12 -3 -9 11.7671 16 KVEC( 1317) = -2 0 -22 11.7677 8 KVEC( 1318) = -11 -5 -10 11.7679 16 KVEC( 1319) = -4 -2 -21 11.7709 16 KVEC( 1320) = -10 0 -15 11.7751 8 KVEC( 1321) = -8 -6 -15 11.7751 16 KVEC( 1322) = -11 -3 -12 11.7766 16 KVEC( 1323) = -9 -7 -12 11.7766 16 KVEC( 1324) = -13 -1 -6 11.7787 16 KVEC( 1325) = -11 -7 -6 11.7787 16 KVEC( 1326) = -12 -6 -3 11.7792 16 KVEC( 1327) = -7 -1 -19 11.7843 16 KVEC( 1328) = -5 -5 -19 11.7843 8 KVEC( 1329) = -11 0 -13 11.7845 8 KVEC( 1330) = -8 -5 -16 11.7899 16 KVEC( 1331) = -12 -4 -8 11.7900 16 KVEC( 1332) = -8 0 -18 11.7946 8 KVEC( 1333) = -6 0 -20 11.7979 8 KVEC( 1334) = -13 -3 -4 11.7981 16 KVEC( 1335) = -2 -1 -22 11.7998 16 KVEC( 1336) = -10 -1 -15 11.8071 16 KVEC( 1337) = -10 -9 -3 11.8113 16 KVEC( 1338) = -11 -1 -13 11.8165 16 KVEC( 1339) = -9 -3 -16 11.8220 16 KVEC( 1340) = -8 -1 -18 11.8266 16 KVEC( 1341) = -7 -4 -18 11.8266 16 KVEC( 1342) = -6 -1 -20 11.8299 16 KVEC( 1343) = -12 -2 -10 11.8321 16 KVEC( 1344) = -13 -4 0 11.8328 8 KVEC( 1345) = -11 -8 0 11.8328 8 KVEC( 1346) = -13 -4 -1 11.8446 16 KVEC( 1347) = -11 -8 -1 11.8446 16 KVEC( 1348) = -8 -7 -14 11.8480 16 KVEC( 1349) = -6 -4 -19 11.8484 16 KVEC( 1350) = -9 -9 -8 11.8541 8 KVEC( 1351) = -12 -6 -4 11.8621 16 KVEC( 1352) = -10 -7 -10 11.8640 16 KVEC( 1353) = -13 -2 -6 11.8747 16 KVEC( 1354) = -13 -4 -2 11.8800 16 KVEC( 1355) = -11 -8 -2 11.8800 16 KVEC( 1356) = -7 -2 -19 11.8803 16 KVEC( 1357) = -8 -4 -17 11.8923 16 KVEC( 1358) = -10 -9 -4 11.8939 16 KVEC( 1359) = -11 -6 -9 11.8950 16 KVEC( 1360) = -2 -2 -22 11.8956 8 KVEC( 1361) = -13 0 -7 11.9004 8 KVEC( 1362) = -12 -5 -7 11.9004 16 KVEC( 1363) = -10 -2 -15 11.9029 16 KVEC( 1364) = -13 -3 -5 11.9044 16 KVEC( 1365) = -11 -2 -13 11.9122 16 KVEC( 1366) = -10 -5 -13 11.9122 16 KVEC( 1367) = -10 -8 -8 11.9177 16 KVEC( 1368) = -8 -2 -18 11.9222 16 KVEC( 1369) = -9 0 -17 11.9240 8 KVEC( 1370) = -6 -2 -20 11.9255 16 KVEC( 1371) = -3 0 -22 11.9274 8 KVEC( 1372) = -5 0 -21 11.9306 8 KVEC( 1373) = -4 -3 -21 11.9306 16 KVEC( 1374) = -13 -1 -7 11.9321 16 KVEC( 1375) = -11 -7 -7 11.9321 16 KVEC( 1376) = -13 -4 -3 11.9388 16 KVEC( 1377) = -11 -8 -3 11.9388 16 KVEC( 1378) = -10 -4 -14 11.9434 16 KVEC( 1379) = -12 0 -11 11.9519 8 KVEC( 1380) = -9 -1 -17 11.9557 16 KVEC( 1381) = -5 -4 -20 11.9572 16 KVEC( 1382) = -3 -1 -22 11.9591 16 KVEC( 1383) = -5 -1 -21 11.9622 16 KVEC( 1384) = -9 -5 -15 11.9663 16 KVEC( 1385) = -12 -6 -5 11.9678 16 KVEC( 1386) = -10 -6 -12 11.9679 16 KVEC( 1387) = -9 -6 -14 11.9751 16 KVEC( 1388) = -12 -1 -11 11.9835 16 KVEC( 1389) = -9 -8 -11 11.9835 16 KVEC( 1390) = -12 -4 -9 11.9901 16 KVEC( 1391) = -12 -3 -10 11.9909 16 KVEC( 1392) = -10 -9 -5 11.9993 16 KVEC( 1393) = -11 -4 -12 11.9994 16 SIZE INCLUDING STAR MEMBERS = 18125 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 0.440170782840383 SUM RULE OF TETRAHEDRON INTEGRATION CHECKED call eweigh... k-pnt spin band energy old/new occ. 1 1 28 0.448047 0.000166/ 0.000083 1 1 28 0.448047 0.000000/ 0.000083 237 1 31 0.449255 -0.000025/-0.000012 237 1 31 0.449255 0.000000/-0.000012 238 1 31 0.449775 -0.000089/-0.000044 238 1 31 0.449775 0.000000/-0.000044 239 1 31 0.450007 -0.000144/-0.000072 239 1 31 0.450007 -0.000001/-0.000072 240 1 31 0.450077 -0.000156/-0.000080 240 1 31 0.450077 -0.000004/-0.000080 265 1 31 0.444107 -0.000044/-0.000034 265 1 31 0.444107 -0.000024/-0.000034 266 1 31 0.443809 -0.000051/-0.000044 266 1 31 0.443809 -0.000037/-0.000044 267 1 31 0.442921 0.000197/ 0.000121 267 1 31 0.442921 0.000044/ 0.000121 268 1 31 0.441699 0.000798/ 0.000535 268 1 31 0.441699 0.000273/ 0.000535 269 1 31 0.440523 0.001314/ 0.000948 269 1 31 0.440523 0.000583/ 0.000948 270 1 31 0.439808 0.001535/ 0.001146 270 1 31 0.439808 0.000757/ 0.001146 289 1 31 0.438854 0.000822/ 0.000770 289 1 31 0.438854 0.000718/ 0.000770 290 1 31 0.438171 0.001949/ 0.001785 290 1 31 0.438171 0.001621/ 0.001785 291 1 31 0.436510 0.002279/ 0.002147 291 1 31 0.436510 0.002015/ 0.002147 292 1 31 0.434619 0.002317/ 0.002290 292 1 31 0.434619 0.002262/ 0.002290 293 1 31 0.433108 0.002270/ 0.002278 293 1 31 0.433108 0.002287/ 0.002278 294 1 31 0.432299 0.002246/ 0.002275 294 1 31 0.432299 0.002303/ 0.002275 307 1 31 0.433881 0.001137/ 0.001155 307 1 31 0.433881 0.001174/ 0.001155 308 1 31 0.433288 0.002264/ 0.002296 308 1 31 0.433288 0.002327/ 0.002296 309 1 31 0.432057 0.002245/ 0.002264 309 1 31 0.432057 0.002283/ 0.002264 310 1 31 0.430955 0.002245/ 0.002247 310 1 31 0.430955 0.002250/ 0.002247 number of occupied bands: 32 highest energy: 0.464117174817388 Bandranges (emin - emax) and occupancy: band 1 -3.4349854812 -3.4304348571 0.200000D+01 band 2 -3.4349854812 -3.4304348571 0.200000D+01 band 3 -3.4302569909 -3.4266140553 0.200000D+01 band 4 -3.4302569909 -3.4265655740 0.200000D+01 band 5 -3.4272642698 -3.4259303242 0.200000D+01 band 6 -3.4266171804 -3.4257843727 0.200000D+01 band 7 -2.2897222393 -2.2890058012 0.200000D+01 band 8 -2.2896707070 -2.2890058012 0.200000D+01 band 9 -2.2890897545 -2.2885720768 0.200000D+01 band 10 -2.2890897545 -2.2884610785 0.200000D+01 band 11 -2.2876777055 -2.2869513599 0.200000D+01 band 12 -2.2876777055 -2.2869324551 0.200000D+01 band 13 -2.2871418534 -2.2867488045 0.200000D+01 band 14 -2.2871175131 -2.2867488045 0.200000D+01 band 15 -2.2856110213 -2.2851475051 0.200000D+01 band 16 -2.2855401395 -2.2851475051 0.200000D+01 band 17 -0.4982533520 -0.3631884694 0.200000D+01 band 18 -0.4486082660 -0.3631884694 0.200000D+01 band 19 0.0135762885 0.1141569684 0.200000D+01 band 20 0.0376141492 0.2081221056 0.200000D+01 band 21 0.1179143928 0.2352415553 0.200000D+01 band 22 0.1493688636 0.2374220507 0.200000D+01 band 23 0.2098043369 0.2902139650 0.200000D+01 band 24 0.2179240895 0.3255143389 0.200000D+01 band 25 0.2886592887 0.3664929832 0.200000D+01 band 26 0.3099618712 0.3696543198 0.200000D+01 band 27 0.3343320071 0.3946474241 0.200000D+01 band 28 0.3352695634 0.4480469685 0.199943D+01 band 29 0.3974181811 0.4602243752 0.179691D+01 band 30 0.3974181811 0.4626890343 0.165116D+01 band 31 0.4285900933 0.5108142896 0.357712D+00 band 32 0.4299534193 0.5166520586 0.194784D+00 band 33 0.4819280489 0.6078080384 0.000000D+00 band 34 0.4866473331 0.6078080384 0.000000D+00 band 35 0.6895584340 0.8696169071 0.000000D+00 band 36 0.6931186244 0.8821391811 0.000000D+00 band 37 0.7203063331 0.9311868101 0.000000D+00 band 38 0.7203063331 0.9987753806 0.000000D+00 band 39 0.8733638367 1.1981317736 0.000000D+00 band 40 0.8733638367 1.1981317736 0.000000D+00 band 41 0.9315926438 1.2753164275 0.000000D+00 band 42 0.9315926438 1.3079161894 0.000000D+00 band 43 1.0847848254 1.5437517935 0.000000D+00 band 44 1.1209373431 1.5437517935 0.000000D+00 band 45 1.2130094046 1.5804317941 0.000000D+00 band 46 1.2130094046 1.5804317941 0.000000D+00 band 47 1.2616084023 1.6446983953 0.000000D+00 band 48 1.3263845328 1.6617533115 0.000000D+00 band 49 1.3719953805 1.6926610134 0.000000D+00 band 50 1.4576861149 1.7042204389 0.000000D+00 band 51 1.4763192257 1.7600034267 0.000000D+00 band 52 1.5063003545 1.7611887950 0.000000D+00 band 53 1.5063003545 1.7950533156 0.000000D+00 band 54 1.5892860839 1.8020844281 0.000000D+00 band 55 1.6389071242 1.8720070662 0.000000D+00 band 56 1.6389071242 1.8763078600 0.000000D+00 band 57 1.7160806468 1.9478083665 0.000000D+00 band 58 1.7316773219 1.9758409736 0.000000D+00 band 59 1.7629722933 1.9961341722 0.000000D+00 band 60 1.8403903032 1.9999568400 0.000000D+00 band 61 1.8786800526 1.9996574638 0.000000D+00 band 62 1.8786800526 1.9996398393 0.000000D+00 band 63 1.9977781214 1.9994423448 0.000000D+00 band 64 1.9994423448 1.9994423448 0.000000D+00 eseper below EF 0.500000000000000 eseper minimum gap 5.000000000000000E-002 Energy to separate semicore and valence states: -3.642371150840226E-002 :NOE : NUMBER OF ELECTRONS = 60.000 :FER : F E R M I - ENERGY(TETRAH.M.)= 0.44017 wmist 59.9999999997662 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 = 0.25000 0.75000 0.00000 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: 0.250 0.750 0.000 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: 0.750 0.250 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 Fe ENERGY PARAMETERS ARE 0.30 0.30 0.37 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 -0.428694E+00 0.147259E+00 0.134331E+00 0.327088E+00 0.290846E-01 3 3 3 0 -0.428694E+00 0.147259E+00 0.134331E+00 0.327088E+00 0.290846E-01 3 3 3 1 0.524299E+00 0.690303E-01 -0.986836E-01 -0.318173E+00 0.174656E-01 2 2 2 1 0.524299E+00 0.690303E-01 -0.986836E-01 -0.318173E+00 0.174656E-01 2 2 2 2 0.147205E+00 -0.120657E+00 -0.673317E+00 -0.535208E+00 0.109370E+01 0 0 0 2 0.147205E+00 -0.120657E+00 -0.673317E+00 -0.535208E+00 0.109370E+01 0 0 0 3 0.702120E+00 0.676475E+00 -0.606709E-01 -0.286337E+00 0.522591E-02 0 0 0 3 0.702120E+00 0.676475E+00 -0.606709E-01 -0.286337E+00 0.522591E-02 0 0 0 4 0.804330E+00 0.114931E+01 -0.414875E-01 -0.258201E+00 0.194983E-02 0 0 0 4 0.804330E+00 0.114931E+01 -0.414875E-01 -0.258201E+00 0.194983E-02 0 0 0 5 0.887464E+00 0.165405E+01 -0.316288E-01 -0.239231E+00 0.969289E-03 0 0 0 5 0.887464E+00 0.165405E+01 -0.316288E-01 -0.239231E+00 0.969289E-03 0 0 0 6 0.960895E+00 0.219681E+01 -0.253787E-01 -0.224521E+00 0.549702E-03 0 0 0 6 0.960895E+00 0.219681E+01 -0.253787E-01 -0.224521E+00 0.549702E-03 0 0 0 7 0.102790E+01 0.277742E+01 -0.210310E-01 -0.212466E+00 0.338499E-03 0 0 0 7 0.102790E+01 0.277742E+01 -0.210310E-01 -0.212466E+00 0.338499E-03 0 0 0 8 0.109015E+01 0.339454E+01 -0.178328E-01 -0.202276E+00 0.220998E-03 0 0 0 8 0.109015E+01 0.339454E+01 -0.178328E-01 -0.202276E+00 0.220998E-03 0 0 0 LO COEFFICIENT: l,A,B,C 0 0.87834 2.80306 0.00000 1 -0.300502E-01 0.625459E-01 0 1 0 LO COEFFICIENT: l,A,B,C 1 0.81841 4.34814 0.00000 LO COEFFICIENT: l,A,B,C 1 0.05703 0.00000 0.99505 LO COEFFICIENT: l,A,B,C 2 0.97484 0.21313 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: 13.373259 :PCS001: PARTIAL CHARGES SPHERE = 1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ :QTL001: 0.4081 6.4551 6.4687 0.0320 2.1418 4.3133 0.0000 1.4142 1.3238 1.2576 2.4731 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: 0.0677 -0.4517 6.0532 -3.3987 0.0489 -0.4818 0.0061 -0.7568 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: 0.3404 0.1257 0.4019 0.2434 6.4197 0.3410 0.0259 0.2616 EFG INSIDE SPHERE 1: 0.294865 UP TO R = 2.5000000 :POS002: AT.NR. -2 POSITION = 0.25000 0.25000 0.27920 MULTIPLICITY = 2 NOT EQUIV ATOM Te 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: 0.250 0.250 0.279 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: 0.750 0.750 0.721 -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 Te ENERGY PARAMETERS ARE -0.84 0.30 -2.31 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 0.452264E+00 -0.169268E+00 -0.148511E+00 -0.366054E+00 0.270204E-01 4 4 4 0 0.452264E+00 -0.169268E+00 -0.148511E+00 -0.366054E+00 0.270204E-01 4 4 4 1 -0.470133E+00 0.237859E+00 0.128814E+00 0.340465E+00 0.198293E-01 3 3 3 1 -0.470133E+00 0.237859E+00 0.128814E+00 0.340465E+00 0.198293E-01 3 3 3 2 -0.864413E-01 0.121037E+00 0.800881E+00 0.108514E+01 0.897978E+00 1 1 1 2 -0.864413E-01 0.121037E+00 0.800881E+00 0.108514E+01 0.897978E+00 1 1 1 3 0.687604E+00 0.517117E+00 -0.103008E+00 -0.354806E+00 0.178251E-01 0 0 0 3 0.687604E+00 0.517117E+00 -0.103008E+00 -0.354806E+00 0.178251E-01 0 0 0 4 0.876777E+00 0.123114E+01 -0.459051E-01 -0.281950E+00 0.202640E-02 0 0 0 4 0.876777E+00 0.123114E+01 -0.459051E-01 -0.281950E+00 0.202640E-02 0 0 0 5 0.986626E+00 0.189658E+01 -0.328393E-01 -0.256397E+00 0.848473E-03 0 0 0 5 0.986626E+00 0.189658E+01 -0.328393E-01 -0.256397E+00 0.848473E-03 0 0 0 6 0.107771E+01 0.259438E+01 -0.256299E-01 -0.238629E+00 0.446982E-03 0 0 0 6 0.107771E+01 0.259438E+01 -0.256299E-01 -0.238629E+00 0.446982E-03 0 0 0 7 0.115849E+01 0.333261E+01 -0.209159E-01 -0.224754E+00 0.264269E-03 0 0 0 7 0.115849E+01 0.333261E+01 -0.209159E-01 -0.224754E+00 0.264269E-03 0 0 0 8 0.123235E+01 0.411251E+01 -0.175666E-01 -0.213336E+00 0.168215E-03 0 0 0 8 0.123235E+01 0.411251E+01 -0.175666E-01 -0.213336E+00 0.168215E-03 0 0 0 0 0.258307E+00 -0.566228E+00 0 4 0 LO COEFFICIENT: l,A,B,C 0 0.89422 2.72319 0.00000 LO COEFFICIENT: l,A,B,C 0 1.24530 0.00000 -2.18038 LO COEFFICIENT: l,A,B,C 1 0.88941 3.24610 0.00000 2 0.647225E+00 0.362775E+00 0 2 0 LO COEFFICIENT: l,A,B,C 2 0.99481 0.10737 0.00000 LO COEFFICIENT: l,A,B,C 2 0.96374 0.00000 0.12871 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: 12.982787 :PCS002: PARTIAL CHARGES SPHERE = 2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ :QTL002: 1.2774 1.7086 9.9766 0.0174 0.5929 1.1157 0.0000 1.9962 1.9946 1.9955 3.9903 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: 1.1856 -0.4081 0.0090 -0.4763 9.9233 -2.2875 0.0002 -2.1272 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: 0.0918 0.1879 1.6996 0.1976 0.0533 0.2916 0.0172 0.3485 EFG INSIDE SPHERE 2: -10.061876 UP TO R = 2.2900000 atpar (cpu,wall): 0.0 0.0 readvec (cpu,wall): 0.3 0.4 readvec, read only (cpu,wall): 0.1 0.2 blocked loop (cpu): 3.3 3.1 reduced (cpu): 0.5 0.4 ilm-tot loop (cpu): 9.4 10.3 ilm-1 loop (cpu): 3.4 ilm-2 loop (cpu): 2.6 ilm-3 loop (cpu): 2.9 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 = 60.000000 SUM OF EIGENVALUES: -81.875591 max k indices: 4 4 6 n,iff1,iff2,iff3 437 24 24 30 FORCE-CALCULATION: F 1393 FOURIER COEFFICIENTS CALCULATED LARGEST COMPONENTS: 5 5 7 =====>>> CPU TIME SUMMARY TOTAL : 22.7 ... 100. PERCENT PART FERMI : 0.1 ... 0. PERCENT PART CLM : 13.8 ... 61. PERCENT PART FOURIR : 8.8 ... 39. PERCENT =====>>> WALL TIME SUMMARY TOTAL : 29.4 ... 100. PERCENT PART FERMI : 0.1 ... 0. PERCENT PART CLM : 14.4 ... 49. PERCENT PART FOURIR : 14.8 ... 50. PERCENT