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 = FeSi LATTICE = P LATTICE CONSTANTS ARE = 8.4905400 8.4905400 8.4905400 NUMBER OF ATOMS IN UNITCELL = 2 MODE OF CALCULATION IS = RELA TYPE OF COORDINATES IN DSPLIT= generate new recprlist KXMAX,KYMAX,KZMAX 16 16 16 1508 PLANE WAVES GENERATED (INCLUDING FORBIDDEN H,K,L) nwav1,kn 11111 1508 KVEC( 1) = 0 0 0 0.0000 1 KVEC( 2) = -1 0 0 0.7400 6 KVEC( 3) = -1 -1 0 1.0465 12 KVEC( 4) = -1 -1 -1 1.2818 4 KVEC( 5) = -1 -1 1 1.2818 4 KVEC( 6) = -2 0 0 1.4800 6 KVEC( 7) = -2 -1 0 1.6547 12 KVEC( 8) = -2 0 -1 1.6547 12 KVEC( 9) = -2 -1 -1 1.8127 12 KVEC( 10) = -2 -1 1 1.8127 12 KVEC( 11) = -2 -2 0 2.0931 12 KVEC( 12) = -3 0 0 2.2201 6 KVEC( 13) = -2 -2 -1 2.2201 12 KVEC( 14) = -2 -2 1 2.2201 12 KVEC( 15) = -3 -1 0 2.3402 12 KVEC( 16) = -3 0 -1 2.3402 12 KVEC( 17) = -3 -1 -1 2.4544 12 KVEC( 18) = -3 -1 1 2.4544 12 KVEC( 19) = -2 -2 -2 2.5635 4 KVEC( 20) = -2 -2 2 2.5635 4 KVEC( 21) = -3 -2 0 2.6682 12 KVEC( 22) = -3 0 -2 2.6682 12 KVEC( 23) = -3 -2 -1 2.7689 12 KVEC( 24) = -3 -2 1 2.7689 12 KVEC( 25) = -3 -1 -2 2.7689 12 KVEC( 26) = -3 -1 2 2.7689 12 KVEC( 27) = -4 0 0 2.9601 6 KVEC( 28) = -4 -1 0 3.0512 12 KVEC( 29) = -4 0 -1 3.0512 12 KVEC( 30) = -3 -2 -2 3.0512 12 KVEC( 31) = -3 -2 2 3.0512 12 KVEC( 32) = -4 -1 -1 3.1396 12 KVEC( 33) = -4 -1 1 3.1396 12 KVEC( 34) = -3 -3 0 3.1396 12 KVEC( 35) = -3 -3 -1 3.2257 12 KVEC( 36) = -3 -3 1 3.2257 12 KVEC( 37) = -4 -2 0 3.3095 12 KVEC( 38) = -4 0 -2 3.3095 12 KVEC( 39) = -4 -2 -1 3.3912 12 KVEC( 40) = -4 -2 1 3.3912 12 KVEC( 41) = -4 -1 -2 3.3912 12 KVEC( 42) = -4 -1 2 3.3912 12 KVEC( 43) = -3 -3 -2 3.4710 12 KVEC( 44) = -3 -3 2 3.4710 12 KVEC( 45) = -4 -2 -2 3.6254 12 KVEC( 46) = -4 -2 2 3.6254 12 KVEC( 47) = -5 0 0 3.7001 6 KVEC( 48) = -4 -3 0 3.7001 12 KVEC( 49) = -4 0 -3 3.7001 12 KVEC( 50) = -5 -1 0 3.7734 12 KVEC( 51) = -5 0 -1 3.7734 12 KVEC( 52) = -4 -3 -1 3.7734 12 KVEC( 53) = -4 -3 1 3.7734 12 KVEC( 54) = -4 -1 -3 3.7734 12 KVEC( 55) = -4 -1 3 3.7734 12 KVEC( 56) = -5 -1 -1 3.8453 12 KVEC( 57) = -5 -1 1 3.8453 12 KVEC( 58) = -3 -3 -3 3.8453 4 KVEC( 59) = -3 -3 3 3.8453 4 KVEC( 60) = -5 -2 0 3.9851 12 KVEC( 61) = -5 0 -2 3.9851 12 KVEC( 62) = -4 -3 -2 3.9851 12 KVEC( 63) = -4 -3 2 3.9851 12 KVEC( 64) = -4 -2 -3 3.9851 12 KVEC( 65) = -4 -2 3 3.9851 12 KVEC( 66) = -5 -2 -1 4.0533 12 KVEC( 67) = -5 -2 1 4.0533 12 KVEC( 68) = -5 -1 -2 4.0533 12 KVEC( 69) = -5 -1 2 4.0533 12 KVEC( 70) = -4 -4 0 4.1862 12 KVEC( 71) = -5 -2 -2 4.2511 12 KVEC( 72) = -5 -2 2 4.2511 12 KVEC( 73) = -4 -4 -1 4.2511 12 KVEC( 74) = -4 -4 1 4.2511 12 KVEC( 75) = -5 -3 0 4.3150 12 KVEC( 76) = -5 0 -3 4.3150 12 KVEC( 77) = -4 -3 -3 4.3150 12 KVEC( 78) = -4 -3 3 4.3150 12 KVEC( 79) = -5 -3 -1 4.3780 12 KVEC( 80) = -5 -3 1 4.3780 12 KVEC( 81) = -5 -1 -3 4.3780 12 KVEC( 82) = -5 -1 3 4.3780 12 KVEC( 83) = -6 0 0 4.4401 6 KVEC( 84) = -4 -4 -2 4.4401 12 KVEC( 85) = -4 -4 2 4.4401 12 KVEC( 86) = -6 -1 0 4.5014 12 KVEC( 87) = -6 0 -1 4.5014 12 KVEC( 88) = -6 -1 -1 4.5618 12 KVEC( 89) = -6 -1 1 4.5618 12 KVEC( 90) = -5 -3 -2 4.5618 12 KVEC( 91) = -5 -3 2 4.5618 12 KVEC( 92) = -5 -2 -3 4.5618 12 KVEC( 93) = -5 -2 3 4.5618 12 KVEC( 94) = -6 -2 0 4.6803 12 KVEC( 95) = -6 0 -2 4.6803 12 KVEC( 96) = -6 -2 -1 4.7385 12 KVEC( 97) = -6 -2 1 4.7385 12 KVEC( 98) = -6 -1 -2 4.7385 12 KVEC( 99) = -6 -1 2 4.7385 12 KVEC( 100) = -5 -4 0 4.7385 12 KVEC( 101) = -5 0 -4 4.7385 12 KVEC( 102) = -4 -4 -3 4.7385 12 KVEC( 103) = -4 -4 3 4.7385 12 KVEC( 104) = -5 -4 -1 4.7959 12 KVEC( 105) = -5 -4 1 4.7959 12 KVEC( 106) = -5 -1 -4 4.7959 12 KVEC( 107) = -5 -1 4 4.7959 12 KVEC( 108) = -5 -3 -3 4.8526 12 KVEC( 109) = -5 -3 3 4.8526 12 KVEC( 110) = -6 -2 -2 4.9087 12 KVEC( 111) = -6 -2 2 4.9087 12 KVEC( 112) = -6 -3 0 4.9642 12 KVEC( 113) = -6 0 -3 4.9642 12 KVEC( 114) = -5 -4 -2 4.9642 12 KVEC( 115) = -5 -4 2 4.9642 12 KVEC( 116) = -5 -2 -4 4.9642 12 KVEC( 117) = -5 -2 4 4.9642 12 KVEC( 118) = -6 -3 -1 5.0191 12 KVEC( 119) = -6 -3 1 5.0191 12 KVEC( 120) = -6 -1 -3 5.0191 12 KVEC( 121) = -6 -1 3 5.0191 12 KVEC( 122) = -4 -4 -4 5.1270 4 KVEC( 123) = -4 -4 4 5.1270 4 KVEC( 124) = -7 0 0 5.1802 6 KVEC( 125) = -6 -3 -2 5.1802 12 KVEC( 126) = -6 -3 2 5.1802 12 KVEC( 127) = -6 -2 -3 5.1802 12 KVEC( 128) = -6 -2 3 5.1802 12 KVEC( 129) = -7 -1 0 5.2327 12 KVEC( 130) = -7 0 -1 5.2327 12 KVEC( 131) = -5 -5 0 5.2327 12 KVEC( 132) = -5 -4 -3 5.2327 12 KVEC( 133) = -5 -4 3 5.2327 12 KVEC( 134) = -5 -3 -4 5.2327 12 KVEC( 135) = -5 -3 4 5.2327 12 KVEC( 136) = -7 -1 -1 5.2848 12 KVEC( 137) = -7 -1 1 5.2848 12 KVEC( 138) = -5 -5 -1 5.2848 12 KVEC( 139) = -5 -5 1 5.2848 12 KVEC( 140) = -6 -4 0 5.3364 12 KVEC( 141) = -6 0 -4 5.3364 12 KVEC( 142) = -7 -2 0 5.3874 12 KVEC( 143) = -7 0 -2 5.3874 12 KVEC( 144) = -6 -4 -1 5.3874 12 KVEC( 145) = -6 -4 1 5.3874 12 KVEC( 146) = -6 -1 -4 5.3874 12 KVEC( 147) = -6 -1 4 5.3874 12 KVEC( 148) = -7 -2 -1 5.4380 12 KVEC( 149) = -7 -2 1 5.4380 12 KVEC( 150) = -7 -1 -2 5.4380 12 KVEC( 151) = -7 -1 2 5.4380 12 KVEC( 152) = -6 -3 -3 5.4380 12 KVEC( 153) = -6 -3 3 5.4380 12 KVEC( 154) = -5 -5 -2 5.4380 12 KVEC( 155) = -5 -5 2 5.4380 12 KVEC( 156) = -6 -4 -2 5.5378 12 KVEC( 157) = -6 -4 2 5.5378 12 KVEC( 158) = -6 -2 -4 5.5378 12 KVEC( 159) = -6 -2 4 5.5378 12 KVEC( 160) = -7 -2 -2 5.5870 12 KVEC( 161) = -7 -2 2 5.5870 12 KVEC( 162) = -5 -4 -4 5.5870 12 KVEC( 163) = -5 -4 4 5.5870 12 KVEC( 164) = -7 -3 0 5.6358 12 KVEC( 165) = -7 0 -3 5.6358 12 KVEC( 166) = -7 -3 -1 5.6842 12 KVEC( 167) = -7 -3 1 5.6842 12 KVEC( 168) = -7 -1 -3 5.6842 12 KVEC( 169) = -7 -1 3 5.6842 12 KVEC( 170) = -5 -5 -3 5.6842 12 KVEC( 171) = -5 -5 3 5.6842 12 KVEC( 172) = -6 -5 0 5.7798 12 KVEC( 173) = -6 -4 -3 5.7798 12 KVEC( 174) = -6 -4 3 5.7798 12 KVEC( 175) = -6 -3 -4 5.7798 12 KVEC( 176) = -6 -3 4 5.7798 12 KVEC( 177) = -6 0 -5 5.7798 12 KVEC( 178) = -7 -3 -2 5.8269 12 KVEC( 179) = -7 -3 2 5.8269 12 KVEC( 180) = -7 -2 -3 5.8269 12 KVEC( 181) = -7 -2 3 5.8269 12 KVEC( 182) = -6 -5 -1 5.8269 12 KVEC( 183) = -6 -5 1 5.8269 12 KVEC( 184) = -6 -1 -5 5.8269 12 KVEC( 185) = -6 -1 5 5.8269 12 KVEC( 186) = -8 0 0 5.9202 6 KVEC( 187) = -8 -1 0 5.9662 12 KVEC( 188) = -8 0 -1 5.9662 12 KVEC( 189) = -7 -4 0 5.9662 12 KVEC( 190) = -7 0 -4 5.9662 12 KVEC( 191) = -6 -5 -2 5.9662 12 KVEC( 192) = -6 -5 2 5.9662 12 KVEC( 193) = -6 -2 -5 5.9662 12 KVEC( 194) = -6 -2 5 5.9662 12 KVEC( 195) = -8 -1 -1 6.0120 12 KVEC( 196) = -8 -1 1 6.0120 12 KVEC( 197) = -7 -4 -1 6.0120 12 KVEC( 198) = -7 -4 1 6.0120 12 KVEC( 199) = -7 -1 -4 6.0120 12 KVEC( 200) = -7 -1 4 6.0120 12 KVEC( 201) = -5 -5 -4 6.0120 12 KVEC( 202) = -5 -5 4 6.0120 12 KVEC( 203) = -7 -3 -3 6.0573 12 KVEC( 204) = -7 -3 3 6.0573 12 KVEC( 205) = -8 -2 0 6.1024 12 KVEC( 206) = -8 0 -2 6.1024 12 KVEC( 207) = -6 -4 -4 6.1024 12 KVEC( 208) = -6 -4 4 6.1024 12 KVEC( 209) = -8 -2 -1 6.1471 12 KVEC( 210) = -8 -2 1 6.1471 12 KVEC( 211) = -8 -1 -2 6.1471 12 KVEC( 212) = -8 -1 2 6.1471 12 KVEC( 213) = -7 -4 -2 6.1471 12 KVEC( 214) = -7 -4 2 6.1471 12 KVEC( 215) = -7 -2 -4 6.1471 12 KVEC( 216) = -7 -2 4 6.1471 12 KVEC( 217) = -6 -5 -3 6.1915 12 KVEC( 218) = -6 -5 3 6.1915 12 KVEC( 219) = -6 -3 -5 6.1915 12 KVEC( 220) = -6 -3 5 6.1915 12 KVEC( 221) = -8 -2 -2 6.2793 12 KVEC( 222) = -8 -2 2 6.2793 12 KVEC( 223) = -6 -6 0 6.2793 12 KVEC( 224) = -8 -3 0 6.3227 12 KVEC( 225) = -8 0 -3 6.3227 12 KVEC( 226) = -6 -6 -1 6.3227 12 KVEC( 227) = -6 -6 1 6.3227 12 KVEC( 228) = -8 -3 -1 6.3659 12 KVEC( 229) = -8 -3 1 6.3659 12 KVEC( 230) = -8 -1 -3 6.3659 12 KVEC( 231) = -8 -1 3 6.3659 12 KVEC( 232) = -7 -5 0 6.3659 12 KVEC( 233) = -7 -4 -3 6.3659 12 KVEC( 234) = -7 -4 3 6.3659 12 KVEC( 235) = -7 -3 -4 6.3659 12 KVEC( 236) = -7 -3 4 6.3659 12 KVEC( 237) = -7 0 -5 6.3659 12 KVEC( 238) = -7 -5 -1 6.4088 12 KVEC( 239) = -7 -5 1 6.4088 12 KVEC( 240) = -7 -1 -5 6.4088 12 KVEC( 241) = -7 -1 5 6.4088 12 KVEC( 242) = -5 -5 -5 6.4088 4 KVEC( 243) = -5 -5 5 6.4088 4 KVEC( 244) = -6 -6 -2 6.4514 12 KVEC( 245) = -6 -6 2 6.4514 12 KVEC( 246) = -8 -3 -2 6.4937 12 KVEC( 247) = -8 -3 2 6.4937 12 KVEC( 248) = -8 -2 -3 6.4937 12 KVEC( 249) = -8 -2 3 6.4937 12 KVEC( 250) = -6 -5 -4 6.4937 12 KVEC( 251) = -6 -5 4 6.4937 12 KVEC( 252) = -6 -4 -5 6.4937 12 KVEC( 253) = -6 -4 5 6.4937 12 KVEC( 254) = -7 -5 -2 6.5357 12 KVEC( 255) = -7 -5 2 6.5357 12 KVEC( 256) = -7 -2 -5 6.5357 12 KVEC( 257) = -7 -2 5 6.5357 12 KVEC( 258) = -8 -4 0 6.6190 12 KVEC( 259) = -8 0 -4 6.6190 12 KVEC( 260) = -9 0 0 6.6602 6 KVEC( 261) = -8 -4 -1 6.6602 12 KVEC( 262) = -8 -4 1 6.6602 12 KVEC( 263) = -8 -1 -4 6.6602 12 KVEC( 264) = -8 -1 4 6.6602 12 KVEC( 265) = -7 -4 -4 6.6602 12 KVEC( 266) = -7 -4 4 6.6602 12 KVEC( 267) = -6 -6 -3 6.6602 12 KVEC( 268) = -6 -6 3 6.6602 12 KVEC( 269) = -9 -1 0 6.7012 12 KVEC( 270) = -9 0 -1 6.7012 12 KVEC( 271) = -8 -3 -3 6.7012 12 KVEC( 272) = -8 -3 3 6.7012 12 KVEC( 273) = -9 -1 -1 6.7419 12 KVEC( 274) = -9 -1 1 6.7419 12 KVEC( 275) = -7 -5 -3 6.7419 12 KVEC( 276) = -7 -5 3 6.7419 12 KVEC( 277) = -7 -3 -5 6.7419 12 KVEC( 278) = -7 -3 5 6.7419 12 KVEC( 279) = -8 -4 -2 6.7824 12 KVEC( 280) = -8 -4 2 6.7824 12 KVEC( 281) = -8 -2 -4 6.7824 12 KVEC( 282) = -8 -2 4 6.7824 12 KVEC( 283) = -9 -2 0 6.8227 12 KVEC( 284) = -9 0 -2 6.8227 12 KVEC( 285) = -7 -6 0 6.8227 12 KVEC( 286) = -7 0 -6 6.8227 12 KVEC( 287) = -9 -2 -1 6.8627 12 KVEC( 288) = -9 -2 1 6.8627 12 KVEC( 289) = -9 -1 -2 6.8627 12 KVEC( 290) = -9 -1 2 6.8627 12 KVEC( 291) = -7 -6 -1 6.8627 12 KVEC( 292) = -7 -6 1 6.8627 12 KVEC( 293) = -7 -1 -6 6.8627 12 KVEC( 294) = -7 -1 6 6.8627 12 KVEC( 295) = -6 -5 -5 6.8627 12 KVEC( 296) = -6 -5 5 6.8627 12 KVEC( 297) = -6 -6 -4 6.9420 12 KVEC( 298) = -6 -6 4 6.9420 12 KVEC( 299) = -9 -2 -2 6.9814 12 KVEC( 300) = -9 -2 2 6.9814 12 KVEC( 301) = -8 -5 0 6.9814 12 KVEC( 302) = -8 -4 -3 6.9814 12 KVEC( 303) = -8 -4 3 6.9814 12 KVEC( 304) = -8 -3 -4 6.9814 12 KVEC( 305) = -8 -3 4 6.9814 12 KVEC( 306) = -8 0 -5 6.9814 12 KVEC( 307) = -7 -6 -2 6.9814 12 KVEC( 308) = -7 -6 2 6.9814 12 KVEC( 309) = -7 -2 -6 6.9814 12 KVEC( 310) = -7 -2 6 6.9814 12 KVEC( 311) = -9 -3 0 7.0205 12 KVEC( 312) = -9 0 -3 7.0205 12 KVEC( 313) = -8 -5 -1 7.0205 12 KVEC( 314) = -8 -5 1 7.0205 12 KVEC( 315) = -8 -1 -5 7.0205 12 KVEC( 316) = -8 -1 5 7.0205 12 KVEC( 317) = -7 -5 -4 7.0205 12 KVEC( 318) = -7 -5 4 7.0205 12 KVEC( 319) = -7 -4 -5 7.0205 12 KVEC( 320) = -7 -4 5 7.0205 12 KVEC( 321) = -9 -3 -1 7.0594 12 KVEC( 322) = -9 -3 1 7.0594 12 KVEC( 323) = -9 -1 -3 7.0594 12 KVEC( 324) = -9 -1 3 7.0594 12 KVEC( 325) = -8 -5 -2 7.1365 12 KVEC( 326) = -8 -5 2 7.1365 12 KVEC( 327) = -8 -2 -5 7.1365 12 KVEC( 328) = -8 -2 5 7.1365 12 KVEC( 329) = -9 -3 -2 7.1748 12 KVEC( 330) = -9 -3 2 7.1748 12 KVEC( 331) = -9 -2 -3 7.1748 12 KVEC( 332) = -9 -2 3 7.1748 12 KVEC( 333) = -7 -6 -3 7.1748 12 KVEC( 334) = -7 -6 3 7.1748 12 KVEC( 335) = -7 -3 -6 7.1748 12 KVEC( 336) = -7 -3 6 7.1748 12 KVEC( 337) = -8 -4 -4 7.2507 12 KVEC( 338) = -8 -4 4 7.2507 12 KVEC( 339) = -9 -4 0 7.2884 12 KVEC( 340) = -9 0 -4 7.2884 12 KVEC( 341) = -6 -6 -5 7.2884 12 KVEC( 342) = -6 -6 5 7.2884 12 KVEC( 343) = -9 -4 -1 7.3258 12 KVEC( 344) = -9 -4 1 7.3258 12 KVEC( 345) = -9 -1 -4 7.3258 12 KVEC( 346) = -9 -1 4 7.3258 12 KVEC( 347) = -8 -5 -3 7.3258 12 KVEC( 348) = -8 -5 3 7.3258 12 KVEC( 349) = -8 -3 -5 7.3258 12 KVEC( 350) = -8 -3 5 7.3258 12 KVEC( 351) = -7 -7 0 7.3258 12 KVEC( 352) = -9 -3 -3 7.3631 12 KVEC( 353) = -9 -3 3 7.3631 12 KVEC( 354) = -7 -7 -1 7.3631 12 KVEC( 355) = -7 -7 1 7.3631 12 KVEC( 356) = -7 -5 -5 7.3631 12 KVEC( 357) = -7 -5 5 7.3631 12 KVEC( 358) = -10 0 0 7.4002 6 KVEC( 359) = -8 -6 0 7.4002 12 KVEC( 360) = -8 0 -6 7.4002 12 KVEC( 361) = -10 -1 0 7.4371 12 KVEC( 362) = -10 0 -1 7.4371 12 KVEC( 363) = -9 -4 -2 7.4371 12 KVEC( 364) = -9 -4 2 7.4371 12 KVEC( 365) = -9 -2 -4 7.4371 12 KVEC( 366) = -9 -2 4 7.4371 12 KVEC( 367) = -8 -6 -1 7.4371 12 KVEC( 368) = -8 -6 1 7.4371 12 KVEC( 369) = -8 -1 -6 7.4371 12 KVEC( 370) = -8 -1 6 7.4371 12 KVEC( 371) = -7 -6 -4 7.4371 12 KVEC( 372) = -7 -6 4 7.4371 12 KVEC( 373) = -7 -4 -6 7.4371 12 KVEC( 374) = -7 -4 6 7.4371 12 KVEC( 375) = -10 -1 -1 7.4739 12 KVEC( 376) = -10 -1 1 7.4739 12 KVEC( 377) = -7 -7 -2 7.4739 12 KVEC( 378) = -7 -7 2 7.4739 12 KVEC( 379) = -10 -2 0 7.5468 12 KVEC( 380) = -10 0 -2 7.5468 12 KVEC( 381) = -8 -6 -2 7.5468 12 KVEC( 382) = -8 -6 2 7.5468 12 KVEC( 383) = -8 -2 -6 7.5468 12 KVEC( 384) = -8 -2 6 7.5468 12 KVEC( 385) = -10 -2 -1 7.5830 12 KVEC( 386) = -10 -2 1 7.5830 12 KVEC( 387) = -10 -1 -2 7.5830 12 KVEC( 388) = -10 -1 2 7.5830 12 KVEC( 389) = -8 -5 -4 7.5830 12 KVEC( 390) = -8 -5 4 7.5830 12 KVEC( 391) = -8 -4 -5 7.5830 12 KVEC( 392) = -8 -4 5 7.5830 12 KVEC( 393) = -9 -5 0 7.6190 12 KVEC( 394) = -9 -4 -3 7.6190 12 KVEC( 395) = -9 -4 3 7.6190 12 KVEC( 396) = -9 -3 -4 7.6190 12 KVEC( 397) = -9 -3 4 7.6190 12 KVEC( 398) = -9 0 -5 7.6190 12 KVEC( 399) = -9 -5 -1 7.6548 12 KVEC( 400) = -9 -5 1 7.6548 12 KVEC( 401) = -9 -1 -5 7.6548 12 KVEC( 402) = -9 -1 5 7.6548 12 KVEC( 403) = -7 -7 -3 7.6548 12 KVEC( 404) = -7 -7 3 7.6548 12 KVEC( 405) = -10 -2 -2 7.6905 12 KVEC( 406) = -10 -2 2 7.6905 12 KVEC( 407) = -6 -6 -6 7.6905 4 KVEC( 408) = -6 -6 6 7.6905 4 KVEC( 409) = -10 -3 0 7.7261 12 KVEC( 410) = -10 0 -3 7.7261 12 KVEC( 411) = -8 -6 -3 7.7261 12 KVEC( 412) = -8 -6 3 7.7261 12 KVEC( 413) = -8 -3 -6 7.7261 12 KVEC( 414) = -8 -3 6 7.7261 12 KVEC( 415) = -10 -3 -1 7.7614 12 KVEC( 416) = -10 -3 1 7.7614 12 KVEC( 417) = -10 -1 -3 7.7614 12 KVEC( 418) = -10 -1 3 7.7614 12 KVEC( 419) = -9 -5 -2 7.7614 12 KVEC( 420) = -9 -5 2 7.7614 12 KVEC( 421) = -9 -2 -5 7.7614 12 KVEC( 422) = -9 -2 5 7.7614 12 KVEC( 423) = -7 -6 -5 7.7614 12 KVEC( 424) = -7 -6 5 7.7614 12 KVEC( 425) = -7 -5 -6 7.7614 12 KVEC( 426) = -7 -5 6 7.7614 12 KVEC( 427) = -10 -3 -2 7.8665 12 KVEC( 428) = -10 -3 2 7.8665 12 KVEC( 429) = -10 -2 -3 7.8665 12 KVEC( 430) = -10 -2 3 7.8665 12 KVEC( 431) = -9 -4 -4 7.8665 12 KVEC( 432) = -9 -4 4 7.8665 12 KVEC( 433) = -8 -7 0 7.8665 12 KVEC( 434) = -8 0 -7 7.8665 12 KVEC( 435) = -8 -7 -1 7.9013 12 KVEC( 436) = -8 -7 1 7.9013 12 KVEC( 437) = -8 -5 -5 7.9013 12 KVEC( 438) = -8 -5 5 7.9013 12 KVEC( 439) = -8 -1 -7 7.9013 12 KVEC( 440) = -8 -1 7 7.9013 12 KVEC( 441) = -7 -7 -4 7.9013 12 KVEC( 442) = -7 -7 4 7.9013 12 KVEC( 443) = -9 -5 -3 7.9359 12 KVEC( 444) = -9 -5 3 7.9359 12 KVEC( 445) = -9 -3 -5 7.9359 12 KVEC( 446) = -9 -3 5 7.9359 12 KVEC( 447) = -10 -4 0 7.9703 12 KVEC( 448) = -10 0 -4 7.9703 12 KVEC( 449) = -8 -6 -4 7.9703 12 KVEC( 450) = -8 -6 4 7.9703 12 KVEC( 451) = -8 -4 -6 7.9703 12 KVEC( 452) = -8 -4 6 7.9703 12 KVEC( 453) = -10 -4 -1 8.0046 12 KVEC( 454) = -10 -4 1 8.0046 12 KVEC( 455) = -10 -1 -4 8.0046 12 KVEC( 456) = -10 -1 4 8.0046 12 KVEC( 457) = -9 -6 0 8.0046 12 KVEC( 458) = -9 0 -6 8.0046 12 KVEC( 459) = -8 -7 -2 8.0046 12 KVEC( 460) = -8 -7 2 8.0046 12 KVEC( 461) = -8 -2 -7 8.0046 12 KVEC( 462) = -8 -2 7 8.0046 12 KVEC( 463) = -10 -3 -3 8.0387 12 KVEC( 464) = -10 -3 3 8.0387 12 KVEC( 465) = -9 -6 -1 8.0387 12 KVEC( 466) = -9 -6 1 8.0387 12 KVEC( 467) = -9 -1 -6 8.0387 12 KVEC( 468) = -9 -1 6 8.0387 12 KVEC( 469) = -10 -4 -2 8.1065 12 KVEC( 470) = -10 -4 2 8.1065 12 KVEC( 471) = -10 -2 -4 8.1065 12 KVEC( 472) = -10 -2 4 8.1065 12 KVEC( 473) = -11 0 0 8.1402 6 KVEC( 474) = -9 -6 -2 8.1402 12 KVEC( 475) = -9 -6 2 8.1402 12 KVEC( 476) = -9 -2 -6 8.1402 12 KVEC( 477) = -9 -2 6 8.1402 12 KVEC( 478) = -7 -6 -6 8.1402 12 KVEC( 479) = -7 -6 6 8.1402 12 KVEC( 480) = -11 -1 0 8.1738 12 KVEC( 481) = -11 0 -1 8.1738 12 KVEC( 482) = -9 -5 -4 8.1738 12 KVEC( 483) = -9 -5 4 8.1738 12 KVEC( 484) = -9 -4 -5 8.1738 12 KVEC( 485) = -9 -4 5 8.1738 12 KVEC( 486) = -8 -7 -3 8.1738 12 KVEC( 487) = -8 -7 3 8.1738 12 KVEC( 488) = -8 -3 -7 8.1738 12 KVEC( 489) = -8 -3 7 8.1738 12 KVEC( 490) = -11 -1 -1 8.2072 12 KVEC( 491) = -11 -1 1 8.2072 12 KVEC( 492) = -7 -7 -5 8.2072 12 KVEC( 493) = -7 -7 5 8.2072 12 KVEC( 494) = -11 -2 0 8.2737 12 KVEC( 495) = -11 0 -2 8.2737 12 KVEC( 496) = -10 -5 0 8.2737 12 KVEC( 497) = -10 -4 -3 8.2737 12 KVEC( 498) = -10 -4 3 8.2737 12 KVEC( 499) = -10 -3 -4 8.2737 12 KVEC( 500) = -10 -3 4 8.2737 12 KVEC( 501) = -10 0 -5 8.2737 12 KVEC( 502) = -8 -6 -5 8.2737 12 KVEC( 503) = -8 -6 5 8.2737 12 KVEC( 504) = -8 -5 -6 8.2737 12 KVEC( 505) = -8 -5 6 8.2737 12 KVEC( 506) = -11 -2 -1 8.3067 12 KVEC( 507) = -11 -2 1 8.3067 12 KVEC( 508) = -11 -1 -2 8.3067 12 KVEC( 509) = -11 -1 2 8.3067 12 KVEC( 510) = -10 -5 -1 8.3067 12 KVEC( 511) = -10 -5 1 8.3067 12 KVEC( 512) = -10 -1 -5 8.3067 12 KVEC( 513) = -10 -1 5 8.3067 12 KVEC( 514) = -9 -6 -3 8.3067 12 KVEC( 515) = -9 -6 3 8.3067 12 KVEC( 516) = -9 -3 -6 8.3067 12 KVEC( 517) = -9 -3 6 8.3067 12 KVEC( 518) = -8 -8 0 8.3724 12 KVEC( 519) = -11 -2 -2 8.4050 12 KVEC( 520) = -11 -2 2 8.4050 12 KVEC( 521) = -10 -5 -2 8.4050 12 KVEC( 522) = -10 -5 2 8.4050 12 KVEC( 523) = -10 -2 -5 8.4050 12 KVEC( 524) = -10 -2 5 8.4050 12 KVEC( 525) = -8 -8 -1 8.4050 12 KVEC( 526) = -8 -8 1 8.4050 12 KVEC( 527) = -8 -7 -4 8.4050 12 KVEC( 528) = -8 -7 4 8.4050 12 KVEC( 529) = -8 -4 -7 8.4050 12 KVEC( 530) = -8 -4 7 8.4050 12 KVEC( 531) = -11 -3 0 8.4375 12 KVEC( 532) = -11 0 -3 8.4375 12 KVEC( 533) = -9 -7 0 8.4375 12 KVEC( 534) = -9 0 -7 8.4375 12 KVEC( 535) = -11 -3 -1 8.4699 12 KVEC( 536) = -11 -3 1 8.4699 12 KVEC( 537) = -11 -1 -3 8.4699 12 KVEC( 538) = -11 -1 3 8.4699 12 KVEC( 539) = -9 -7 -1 8.4699 12 KVEC( 540) = -9 -7 1 8.4699 12 KVEC( 541) = -9 -5 -5 8.4699 12 KVEC( 542) = -9 -5 5 8.4699 12 KVEC( 543) = -9 -1 -7 8.4699 12 KVEC( 544) = -9 -1 7 8.4699 12 KVEC( 545) = -10 -4 -4 8.5022 12 KVEC( 546) = -10 -4 4 8.5022 12 KVEC( 547) = -8 -8 -2 8.5022 12 KVEC( 548) = -8 -8 2 8.5022 12 KVEC( 549) = -9 -6 -4 8.5343 12 KVEC( 550) = -9 -6 4 8.5343 12 KVEC( 551) = -9 -4 -6 8.5343 12 KVEC( 552) = -9 -4 6 8.5343 12 KVEC( 553) = -11 -3 -2 8.5664 12 KVEC( 554) = -11 -3 2 8.5664 12 KVEC( 555) = -11 -2 -3 8.5664 12 KVEC( 556) = -11 -2 3 8.5664 12 KVEC( 557) = -10 -5 -3 8.5664 12 KVEC( 558) = -10 -5 3 8.5664 12 KVEC( 559) = -10 -3 -5 8.5664 12 KVEC( 560) = -10 -3 5 8.5664 12 KVEC( 561) = -9 -7 -2 8.5664 12 KVEC( 562) = -9 -7 2 8.5664 12 KVEC( 563) = -9 -2 -7 8.5664 12 KVEC( 564) = -9 -2 7 8.5664 12 KVEC( 565) = -7 -7 -6 8.5664 12 KVEC( 566) = -7 -7 6 8.5664 12 KVEC( 567) = -10 -6 0 8.6301 12 KVEC( 568) = -10 0 -6 8.6301 12 KVEC( 569) = -8 -6 -6 8.6301 12 KVEC( 570) = -8 -6 6 8.6301 12 KVEC( 571) = -11 -4 0 8.6617 12 KVEC( 572) = -11 0 -4 8.6617 12 KVEC( 573) = -10 -6 -1 8.6617 12 KVEC( 574) = -10 -6 1 8.6617 12 KVEC( 575) = -10 -1 -6 8.6617 12 KVEC( 576) = -10 -1 6 8.6617 12 KVEC( 577) = -8 -8 -3 8.6617 12 KVEC( 578) = -8 -8 3 8.6617 12 KVEC( 579) = -11 -4 -1 8.6933 12 KVEC( 580) = -11 -4 1 8.6933 12 KVEC( 581) = -11 -1 -4 8.6933 12 KVEC( 582) = -11 -1 4 8.6933 12 KVEC( 583) = -8 -7 -5 8.6933 12 KVEC( 584) = -8 -7 5 8.6933 12 KVEC( 585) = -8 -5 -7 8.6933 12 KVEC( 586) = -8 -5 7 8.6933 12 KVEC( 587) = -11 -3 -3 8.7247 12 KVEC( 588) = -11 -3 3 8.7247 12 KVEC( 589) = -9 -7 -3 8.7247 12 KVEC( 590) = -9 -7 3 8.7247 12 KVEC( 591) = -9 -3 -7 8.7247 12 KVEC( 592) = -9 -3 7 8.7247 12 KVEC( 593) = -10 -6 -2 8.7561 12 KVEC( 594) = -10 -6 2 8.7561 12 KVEC( 595) = -10 -2 -6 8.7561 12 KVEC( 596) = -10 -2 6 8.7561 12 KVEC( 597) = -11 -4 -2 8.7873 12 KVEC( 598) = -11 -4 2 8.7873 12 KVEC( 599) = -11 -2 -4 8.7873 12 KVEC( 600) = -11 -2 4 8.7873 12 KVEC( 601) = -10 -5 -4 8.7873 12 KVEC( 602) = -10 -5 4 8.7873 12 KVEC( 603) = -10 -4 -5 8.7873 12 KVEC( 604) = -10 -4 5 8.7873 12 KVEC( 605) = -9 -6 -5 8.8184 12 KVEC( 606) = -9 -6 5 8.8184 12 KVEC( 607) = -9 -5 -6 8.8184 12 KVEC( 608) = -9 -5 6 8.8184 12 KVEC( 609) = -12 0 0 8.8803 6 KVEC( 610) = -8 -8 -4 8.8803 12 KVEC( 611) = -8 -8 4 8.8803 12 KVEC( 612) = -12 -1 0 8.9110 12 KVEC( 613) = -12 0 -1 8.9110 12 KVEC( 614) = -10 -6 -3 8.9110 12 KVEC( 615) = -10 -6 3 8.9110 12 KVEC( 616) = -10 -3 -6 8.9110 12 KVEC( 617) = -10 -3 6 8.9110 12 KVEC( 618) = -9 -8 0 8.9110 12 KVEC( 619) = -9 0 -8 8.9110 12 KVEC( 620) = -12 -1 -1 8.9417 12 KVEC( 621) = -12 -1 1 8.9417 12 KVEC( 622) = -11 -5 0 8.9417 12 KVEC( 623) = -11 -4 -3 8.9417 12 KVEC( 624) = -11 -4 3 8.9417 12 KVEC( 625) = -11 -3 -4 8.9417 12 KVEC( 626) = -11 -3 4 8.9417 12 KVEC( 627) = -11 0 -5 8.9417 12 KVEC( 628) = -9 -8 -1 8.9417 12 KVEC( 629) = -9 -8 1 8.9417 12 KVEC( 630) = -9 -7 -4 8.9417 12 KVEC( 631) = -9 -7 4 8.9417 12 KVEC( 632) = -9 -4 -7 8.9417 12 KVEC( 633) = -9 -4 7 8.9417 12 KVEC( 634) = -9 -1 -8 8.9417 12 KVEC( 635) = -9 -1 8 8.9417 12 KVEC( 636) = -11 -5 -1 8.9723 12 KVEC( 637) = -11 -5 1 8.9723 12 KVEC( 638) = -11 -1 -5 8.9723 12 KVEC( 639) = -11 -1 5 8.9723 12 KVEC( 640) = -7 -7 -7 8.9723 4 KVEC( 641) = -7 -7 7 8.9723 4 KVEC( 642) = -12 -2 0 9.0028 12 KVEC( 643) = -12 0 -2 9.0028 12 KVEC( 644) = -12 -2 -1 9.0331 12 KVEC( 645) = -12 -2 1 9.0331 12 KVEC( 646) = -12 -1 -2 9.0331 12 KVEC( 647) = -12 -1 2 9.0331 12 KVEC( 648) = -10 -7 0 9.0331 12 KVEC( 649) = -10 0 -7 9.0331 12 KVEC( 650) = -9 -8 -2 9.0331 12 KVEC( 651) = -9 -8 2 9.0331 12 KVEC( 652) = -9 -2 -8 9.0331 12 KVEC( 653) = -9 -2 8 9.0331 12 KVEC( 654) = -8 -7 -6 9.0331 12 KVEC( 655) = -8 -7 6 9.0331 12 KVEC( 656) = -8 -6 -7 9.0331 12 KVEC( 657) = -8 -6 7 9.0331 12 KVEC( 658) = -11 -5 -2 9.0634 12 KVEC( 659) = -11 -5 2 9.0634 12 KVEC( 660) = -11 -2 -5 9.0634 12 KVEC( 661) = -11 -2 5 9.0634 12 KVEC( 662) = -10 -7 -1 9.0634 12 KVEC( 663) = -10 -7 1 9.0634 12 KVEC( 664) = -10 -5 -5 9.0634 12 KVEC( 665) = -10 -5 5 9.0634 12 KVEC( 666) = -10 -1 -7 9.0634 12 KVEC( 667) = -10 -1 7 9.0634 12 KVEC( 668) = -12 -2 -2 9.1236 12 KVEC( 669) = -12 -2 2 9.1236 12 KVEC( 670) = -10 -6 -4 9.1236 12 KVEC( 671) = -10 -6 4 9.1236 12 KVEC( 672) = -10 -4 -6 9.1236 12 KVEC( 673) = -10 -4 6 9.1236 12 KVEC( 674) = -12 -3 0 9.1536 12 KVEC( 675) = -12 0 -3 9.1536 12 KVEC( 676) = -11 -4 -4 9.1536 12 KVEC( 677) = -11 -4 4 9.1536 12 KVEC( 678) = -10 -7 -2 9.1536 12 KVEC( 679) = -10 -7 2 9.1536 12 KVEC( 680) = -10 -2 -7 9.1536 12 KVEC( 681) = -10 -2 7 9.1536 12 KVEC( 682) = -9 -6 -6 9.1536 12 KVEC( 683) = -9 -6 6 9.1536 12 KVEC( 684) = -8 -8 -5 9.1536 12 KVEC( 685) = -8 -8 5 9.1536 12 KVEC( 686) = -12 -3 -1 9.1834 12 KVEC( 687) = -12 -3 1 9.1834 12 KVEC( 688) = -12 -1 -3 9.1834 12 KVEC( 689) = -12 -1 3 9.1834 12 KVEC( 690) = -9 -8 -3 9.1834 12 KVEC( 691) = -9 -8 3 9.1834 12 KVEC( 692) = -9 -3 -8 9.1834 12 KVEC( 693) = -9 -3 8 9.1834 12 KVEC( 694) = -11 -5 -3 9.2132 12 KVEC( 695) = -11 -5 3 9.2132 12 KVEC( 696) = -11 -3 -5 9.2132 12 KVEC( 697) = -11 -3 5 9.2132 12 KVEC( 698) = -9 -7 -5 9.2132 12 KVEC( 699) = -9 -7 5 9.2132 12 KVEC( 700) = -9 -5 -7 9.2132 12 KVEC( 701) = -9 -5 7 9.2132 12 KVEC( 702) = -12 -3 -2 9.2724 12 KVEC( 703) = -12 -3 2 9.2724 12 KVEC( 704) = -12 -2 -3 9.2724 12 KVEC( 705) = -12 -2 3 9.2724 12 KVEC( 706) = -11 -6 0 9.2724 12 KVEC( 707) = -11 0 -6 9.2724 12 KVEC( 708) = -11 -6 -1 9.3019 12 KVEC( 709) = -11 -6 1 9.3019 12 KVEC( 710) = -11 -1 -6 9.3019 12 KVEC( 711) = -11 -1 6 9.3019 12 KVEC( 712) = -10 -7 -3 9.3019 12 KVEC( 713) = -10 -7 3 9.3019 12 KVEC( 714) = -10 -3 -7 9.3019 12 KVEC( 715) = -10 -3 7 9.3019 12 KVEC( 716) = -12 -4 0 9.3606 12 KVEC( 717) = -12 0 -4 9.3606 12 KVEC( 718) = -12 -4 -1 9.3898 12 KVEC( 719) = -12 -4 1 9.3898 12 KVEC( 720) = -12 -1 -4 9.3898 12 KVEC( 721) = -12 -1 4 9.3898 12 KVEC( 722) = -11 -6 -2 9.3898 12 KVEC( 723) = -11 -6 2 9.3898 12 KVEC( 724) = -11 -2 -6 9.3898 12 KVEC( 725) = -11 -2 6 9.3898 12 KVEC( 726) = -10 -6 -5 9.3898 12 KVEC( 727) = -10 -6 5 9.3898 12 KVEC( 728) = -10 -5 -6 9.3898 12 KVEC( 729) = -10 -5 6 9.3898 12 KVEC( 730) = -9 -8 -4 9.3898 12 KVEC( 731) = -9 -8 4 9.3898 12 KVEC( 732) = -9 -4 -8 9.3898 12 KVEC( 733) = -9 -4 8 9.3898 12 KVEC( 734) = -12 -3 -3 9.4189 12 KVEC( 735) = -12 -3 3 9.4189 12 KVEC( 736) = -11 -5 -4 9.4189 12 KVEC( 737) = -11 -5 4 9.4189 12 KVEC( 738) = -11 -4 -5 9.4189 12 KVEC( 739) = -11 -4 5 9.4189 12 KVEC( 740) = -9 -9 0 9.4189 12 KVEC( 741) = -8 -7 -7 9.4189 12 KVEC( 742) = -8 -7 7 9.4189 12 KVEC( 743) = -9 -9 -1 9.4480 12 KVEC( 744) = -9 -9 1 9.4480 12 KVEC( 745) = -12 -4 -2 9.4769 12 KVEC( 746) = -12 -4 2 9.4769 12 KVEC( 747) = -12 -2 -4 9.4769 12 KVEC( 748) = -12 -2 4 9.4769 12 KVEC( 749) = -10 -8 0 9.4769 12 KVEC( 750) = -10 0 -8 9.4769 12 KVEC( 751) = -8 -8 -6 9.4769 12 KVEC( 752) = -8 -8 6 9.4769 12 KVEC( 753) = -10 -8 -1 9.5058 12 KVEC( 754) = -10 -8 1 9.5058 12 KVEC( 755) = -10 -7 -4 9.5058 12 KVEC( 756) = -10 -7 4 9.5058 12 KVEC( 757) = -10 -4 -7 9.5058 12 KVEC( 758) = -10 -4 7 9.5058 12 KVEC( 759) = -10 -1 -8 9.5058 12 KVEC( 760) = -10 -1 8 9.5058 12 KVEC( 761) = -11 -6 -3 9.5345 12 KVEC( 762) = -11 -6 3 9.5345 12 KVEC( 763) = -11 -3 -6 9.5345 12 KVEC( 764) = -11 -3 6 9.5345 12 KVEC( 765) = -9 -9 -2 9.5345 12 KVEC( 766) = -9 -9 2 9.5345 12 KVEC( 767) = -9 -7 -6 9.5345 12 KVEC( 768) = -9 -7 6 9.5345 12 KVEC( 769) = -9 -6 -7 9.5345 12 KVEC( 770) = -9 -6 7 9.5345 12 KVEC( 771) = -10 -8 -2 9.5918 12 KVEC( 772) = -10 -8 2 9.5918 12 KVEC( 773) = -10 -2 -8 9.5918 12 KVEC( 774) = -10 -2 8 9.5918 12 KVEC( 775) = -13 0 0 9.6203 6 KVEC( 776) = -12 -5 0 9.6203 12 KVEC( 777) = -12 -4 -3 9.6203 12 KVEC( 778) = -12 -4 3 9.6203 12 KVEC( 779) = -12 -3 -4 9.6203 12 KVEC( 780) = -12 -3 4 9.6203 12 KVEC( 781) = -12 0 -5 9.6203 12 KVEC( 782) = -13 -1 0 9.6487 12 KVEC( 783) = -13 0 -1 9.6487 12 KVEC( 784) = -12 -5 -1 9.6487 12 KVEC( 785) = -12 -5 1 9.6487 12 KVEC( 786) = -12 -1 -5 9.6487 12 KVEC( 787) = -12 -1 5 9.6487 12 KVEC( 788) = -11 -7 0 9.6487 12 KVEC( 789) = -11 0 -7 9.6487 12 KVEC( 790) = -9 -8 -5 9.6487 12 KVEC( 791) = -9 -8 5 9.6487 12 KVEC( 792) = -9 -5 -8 9.6487 12 KVEC( 793) = -9 -5 8 9.6487 12 KVEC( 794) = -13 -1 -1 9.6770 12 KVEC( 795) = -13 -1 1 9.6770 12 KVEC( 796) = -11 -7 -1 9.6770 12 KVEC( 797) = -11 -7 1 9.6770 12 KVEC( 798) = -11 -5 -5 9.6770 12 KVEC( 799) = -11 -5 5 9.6770 12 KVEC( 800) = -11 -1 -7 9.6770 12 KVEC( 801) = -11 -1 7 9.6770 12 KVEC( 802) = -9 -9 -3 9.6770 12 KVEC( 803) = -9 -9 3 9.6770 12 KVEC( 804) = -10 -6 -6 9.7053 12 KVEC( 805) = -10 -6 6 9.7053 12 KVEC( 806) = -13 -2 0 9.7335 12 KVEC( 807) = -13 0 -2 9.7335 12 KVEC( 808) = -12 -5 -2 9.7335 12 KVEC( 809) = -12 -5 2 9.7335 12 KVEC( 810) = -12 -2 -5 9.7335 12 KVEC( 811) = -12 -2 5 9.7335 12 KVEC( 812) = -11 -6 -4 9.7335 12 KVEC( 813) = -11 -6 4 9.7335 12 KVEC( 814) = -11 -4 -6 9.7335 12 KVEC( 815) = -11 -4 6 9.7335 12 KVEC( 816) = -10 -8 -3 9.7335 12 KVEC( 817) = -10 -8 3 9.7335 12 KVEC( 818) = -10 -3 -8 9.7335 12 KVEC( 819) = -10 -3 8 9.7335 12 KVEC( 820) = -13 -2 -1 9.7616 12 KVEC( 821) = -13 -2 1 9.7616 12 KVEC( 822) = -13 -1 -2 9.7616 12 KVEC( 823) = -13 -1 2 9.7616 12 KVEC( 824) = -11 -7 -2 9.7616 12 KVEC( 825) = -11 -7 2 9.7616 12 KVEC( 826) = -11 -2 -7 9.7616 12 KVEC( 827) = -11 -2 7 9.7616 12 KVEC( 828) = -10 -7 -5 9.7616 12 KVEC( 829) = -10 -7 5 9.7616 12 KVEC( 830) = -10 -5 -7 9.7616 12 KVEC( 831) = -10 -5 7 9.7616 12 KVEC( 832) = -12 -4 -4 9.8175 12 KVEC( 833) = -12 -4 4 9.8175 12 KVEC( 834) = -13 -2 -2 9.8454 12 KVEC( 835) = -13 -2 2 9.8454 12 KVEC( 836) = -8 -8 -7 9.8454 12 KVEC( 837) = -8 -8 7 9.8454 12 KVEC( 838) = -13 -3 0 9.8731 12 KVEC( 839) = -13 0 -3 9.8731 12 KVEC( 840) = -12 -5 -3 9.8731 12 KVEC( 841) = -12 -5 3 9.8731 12 KVEC( 842) = -12 -3 -5 9.8731 12 KVEC( 843) = -12 -3 5 9.8731 12 KVEC( 844) = -9 -9 -4 9.8731 12 KVEC( 845) = -9 -9 4 9.8731 12 KVEC( 846) = -13 -3 -1 9.9008 12 KVEC( 847) = -13 -3 1 9.9008 12 KVEC( 848) = -13 -1 -3 9.9008 12 KVEC( 849) = -13 -1 3 9.9008 12 KVEC( 850) = -11 -7 -3 9.9008 12 KVEC( 851) = -11 -7 3 9.9008 12 KVEC( 852) = -11 -3 -7 9.9008 12 KVEC( 853) = -11 -3 7 9.9008 12 KVEC( 854) = -9 -7 -7 9.9008 12 KVEC( 855) = -9 -7 7 9.9008 12 KVEC( 856) = -12 -6 0 9.9284 12 KVEC( 857) = -12 0 -6 9.9284 12 KVEC( 858) = -10 -8 -4 9.9284 12 KVEC( 859) = -10 -8 4 9.9284 12 KVEC( 860) = -10 -4 -8 9.9284 12 KVEC( 861) = -10 -4 8 9.9284 12 KVEC( 862) = -12 -6 -1 9.9560 12 KVEC( 863) = -12 -6 1 9.9560 12 KVEC( 864) = -12 -1 -6 9.9560 12 KVEC( 865) = -12 -1 6 9.9560 12 KVEC( 866) = -10 -9 0 9.9560 12 KVEC( 867) = -10 0 -9 9.9560 12 KVEC( 868) = -9 -8 -6 9.9560 12 KVEC( 869) = -9 -8 6 9.9560 12 KVEC( 870) = -9 -6 -8 9.9560 12 KVEC( 871) = -9 -6 8 9.9560 12 KVEC( 872) = -13 -3 -2 9.9834 12 KVEC( 873) = -13 -3 2 9.9834 12 KVEC( 874) = -13 -2 -3 9.9834 12 KVEC( 875) = -13 -2 3 9.9834 12 KVEC( 876) = -11 -6 -5 9.9834 12 KVEC( 877) = -11 -6 5 9.9834 12 KVEC( 878) = -11 -5 -6 9.9834 12 KVEC( 879) = -11 -5 6 9.9834 12 KVEC( 880) = -10 -9 -1 9.9834 12 KVEC( 881) = -10 -9 1 9.9834 12 KVEC( 882) = -10 -1 -9 9.9834 12 KVEC( 883) = -10 -1 9 9.9834 12 KVEC( 884) = -12 -6 -2 10.0381 12 KVEC( 885) = -12 -6 2 10.0381 12 KVEC( 886) = -12 -2 -6 10.0381 12 KVEC( 887) = -12 -2 6 10.0381 12 KVEC( 888) = -13 -4 0 10.0654 12 KVEC( 889) = -13 0 -4 10.0654 12 KVEC( 890) = -12 -5 -4 10.0654 12 KVEC( 891) = -12 -5 4 10.0654 12 KVEC( 892) = -12 -4 -5 10.0654 12 KVEC( 893) = -12 -4 5 10.0654 12 KVEC( 894) = -11 -8 0 10.0654 12 KVEC( 895) = -11 0 -8 10.0654 12 KVEC( 896) = -10 -9 -2 10.0654 12 KVEC( 897) = -10 -9 2 10.0654 12 KVEC( 898) = -10 -7 -6 10.0654 12 KVEC( 899) = -10 -7 6 10.0654 12 KVEC( 900) = -10 -6 -7 10.0654 12 KVEC( 901) = -10 -6 7 10.0654 12 KVEC( 902) = -10 -2 -9 10.0654 12 KVEC( 903) = -10 -2 9 10.0654 12 KVEC( 904) = -13 -4 -1 10.0926 12 KVEC( 905) = -13 -4 1 10.0926 12 KVEC( 906) = -13 -1 -4 10.0926 12 KVEC( 907) = -13 -1 4 10.0926 12 KVEC( 908) = -11 -8 -1 10.0926 12 KVEC( 909) = -11 -8 1 10.0926 12 KVEC( 910) = -11 -7 -4 10.0926 12 KVEC( 911) = -11 -7 4 10.0926 12 KVEC( 912) = -11 -4 -7 10.0926 12 KVEC( 913) = -11 -4 7 10.0926 12 KVEC( 914) = -11 -1 -8 10.0926 12 KVEC( 915) = -11 -1 8 10.0926 12 KVEC( 916) = -13 -3 -3 10.1196 12 KVEC( 917) = -13 -3 3 10.1196 12 KVEC( 918) = -9 -9 -5 10.1196 12 KVEC( 919) = -9 -9 5 10.1196 12 KVEC( 920) = -13 -4 -2 10.1736 12 KVEC( 921) = -13 -4 2 10.1736 12 KVEC( 922) = -13 -2 -4 10.1736 12 KVEC( 923) = -13 -2 4 10.1736 12 KVEC( 924) = -12 -6 -3 10.1736 12 KVEC( 925) = -12 -6 3 10.1736 12 KVEC( 926) = -12 -3 -6 10.1736 12 KVEC( 927) = -12 -3 6 10.1736 12 KVEC( 928) = -11 -8 -2 10.1736 12 KVEC( 929) = -11 -8 2 10.1736 12 KVEC( 930) = -11 -2 -8 10.1736 12 KVEC( 931) = -11 -2 8 10.1736 12 KVEC( 932) = -10 -8 -5 10.1736 12 KVEC( 933) = -10 -8 5 10.1736 12 KVEC( 934) = -10 -5 -8 10.1736 12 KVEC( 935) = -10 -5 8 10.1736 12 KVEC( 936) = -10 -9 -3 10.2005 12 KVEC( 937) = -10 -9 3 10.2005 12 KVEC( 938) = -10 -3 -9 10.2005 12 KVEC( 939) = -10 -3 9 10.2005 12 KVEC( 940) = -8 -8 -8 10.2540 4 KVEC( 941) = -8 -8 8 10.2540 4 KVEC( 942) = -12 -7 0 10.2807 12 KVEC( 943) = -12 0 -7 10.2807 12 KVEC( 944) = -11 -6 -6 10.2807 12 KVEC( 945) = -11 -6 6 10.2807 12 KVEC( 946) = -13 -5 0 10.3073 12 KVEC( 947) = -13 -4 -3 10.3073 12 KVEC( 948) = -13 -4 3 10.3073 12 KVEC( 949) = -13 -3 -4 10.3073 12 KVEC( 950) = -13 -3 4 10.3073 12 KVEC( 951) = -13 0 -5 10.3073 12 KVEC( 952) = -12 -7 -1 10.3073 12 KVEC( 953) = -12 -7 1 10.3073 12 KVEC( 954) = -12 -5 -5 10.3073 12 KVEC( 955) = -12 -5 5 10.3073 12 KVEC( 956) = -12 -1 -7 10.3073 12 KVEC( 957) = -12 -1 7 10.3073 12 KVEC( 958) = -11 -8 -3 10.3073 12 KVEC( 959) = -11 -8 3 10.3073 12 KVEC( 960) = -11 -3 -8 10.3073 12 KVEC( 961) = -11 -3 8 10.3073 12 KVEC( 962) = -9 -8 -7 10.3073 12 KVEC( 963) = -9 -8 7 10.3073 12 KVEC( 964) = -9 -7 -8 10.3073 12 KVEC( 965) = -9 -7 8 10.3073 12 KVEC( 966) = -13 -5 -1 10.3338 12 KVEC( 967) = -13 -5 1 10.3338 12 KVEC( 968) = -13 -1 -5 10.3338 12 KVEC( 969) = -13 -1 5 10.3338 12 KVEC( 970) = -11 -7 -5 10.3338 12 KVEC( 971) = -11 -7 5 10.3338 12 KVEC( 972) = -11 -5 -7 10.3338 12 KVEC( 973) = -11 -5 7 10.3338 12 KVEC( 974) = -14 0 0 10.3603 6 KVEC( 975) = -12 -6 -4 10.3603 12 KVEC( 976) = -12 -6 4 10.3603 12 KVEC( 977) = -12 -4 -6 10.3603 12 KVEC( 978) = -12 -4 6 10.3603 12 KVEC( 979) = -14 -1 0 10.3867 12 KVEC( 980) = -14 0 -1 10.3867 12 KVEC( 981) = -12 -7 -2 10.3867 12 KVEC( 982) = -12 -7 2 10.3867 12 KVEC( 983) = -12 -2 -7 10.3867 12 KVEC( 984) = -12 -2 7 10.3867 12 KVEC( 985) = -10 -9 -4 10.3867 12 KVEC( 986) = -10 -9 4 10.3867 12 KVEC( 987) = -10 -4 -9 10.3867 12 KVEC( 988) = -10 -4 9 10.3867 12 KVEC( 989) = -14 -1 -1 10.4130 12 KVEC( 990) = -14 -1 1 10.4130 12 KVEC( 991) = -13 -5 -2 10.4130 12 KVEC( 992) = -13 -5 2 10.4130 12 KVEC( 993) = -13 -2 -5 10.4130 12 KVEC( 994) = -13 -2 5 10.4130 12 KVEC( 995) = -10 -7 -7 10.4130 12 KVEC( 996) = -10 -7 7 10.4130 12 KVEC( 997) = -9 -9 -6 10.4130 12 KVEC( 998) = -9 -9 6 10.4130 12 KVEC( 999) = -14 -2 0 10.4655 12 KVEC( 1000) = -14 0 -2 10.4655 12 KVEC( 1001) = -10 -10 0 10.4655 12 KVEC( 1002) = -10 -8 -6 10.4655 12 KVEC( 1003) = -10 -8 6 10.4655 12 KVEC( 1004) = -10 -6 -8 10.4655 12 KVEC( 1005) = -10 -6 8 10.4655 12 KVEC( 1006) = -14 -2 -1 10.4916 12 KVEC( 1007) = -14 -2 1 10.4916 12 KVEC( 1008) = -14 -1 -2 10.4916 12 KVEC( 1009) = -14 -1 2 10.4916 12 KVEC( 1010) = -13 -4 -4 10.4916 12 KVEC( 1011) = -13 -4 4 10.4916 12 KVEC( 1012) = -11 -8 -4 10.4916 12 KVEC( 1013) = -11 -8 4 10.4916 12 KVEC( 1014) = -11 -4 -8 10.4916 12 KVEC( 1015) = -11 -4 8 10.4916 12 KVEC( 1016) = -10 -10 -1 10.4916 12 KVEC( 1017) = -10 -10 1 10.4916 12 KVEC( 1018) = -12 -7 -3 10.5177 12 KVEC( 1019) = -12 -7 3 10.5177 12 KVEC( 1020) = -12 -3 -7 10.5177 12 KVEC( 1021) = -12 -3 7 10.5177 12 KVEC( 1022) = -11 -9 0 10.5177 12 KVEC( 1023) = -11 0 -9 10.5177 12 KVEC( 1024) = -13 -5 -3 10.5437 12 KVEC( 1025) = -13 -5 3 10.5437 12 KVEC( 1026) = -13 -3 -5 10.5437 12 KVEC( 1027) = -13 -3 5 10.5437 12 KVEC( 1028) = -11 -9 -1 10.5437 12 KVEC( 1029) = -11 -9 1 10.5437 12 KVEC( 1030) = -11 -1 -9 10.5437 12 KVEC( 1031) = -11 -1 9 10.5437 12 KVEC( 1032) = -14 -2 -2 10.5696 12 KVEC( 1033) = -14 -2 2 10.5696 12 KVEC( 1034) = -10 -10 -2 10.5696 12 KVEC( 1035) = -10 -10 2 10.5696 12 KVEC( 1036) = -14 -3 0 10.5955 12 KVEC( 1037) = -14 0 -3 10.5955 12 KVEC( 1038) = -13 -6 0 10.5955 12 KVEC( 1039) = -13 0 -6 10.5955 12 KVEC( 1040) = -12 -6 -5 10.5955 12 KVEC( 1041) = -12 -6 5 10.5955 12 KVEC( 1042) = -12 -5 -6 10.5955 12 KVEC( 1043) = -12 -5 6 10.5955 12 KVEC( 1044) = -14 -3 -1 10.6213 12 KVEC( 1045) = -14 -3 1 10.6213 12 KVEC( 1046) = -14 -1 -3 10.6213 12 KVEC( 1047) = -14 -1 3 10.6213 12 KVEC( 1048) = -13 -6 -1 10.6213 12 KVEC( 1049) = -13 -6 1 10.6213 12 KVEC( 1050) = -13 -1 -6 10.6213 12 KVEC( 1051) = -13 -1 6 10.6213 12 KVEC( 1052) = -11 -9 -2 10.6213 12 KVEC( 1053) = -11 -9 2 10.6213 12 KVEC( 1054) = -11 -7 -6 10.6213 12 KVEC( 1055) = -11 -7 6 10.6213 12 KVEC( 1056) = -11 -6 -7 10.6213 12 KVEC( 1057) = -11 -6 7 10.6213 12 KVEC( 1058) = -11 -2 -9 10.6213 12 KVEC( 1059) = -11 -2 9 10.6213 12 KVEC( 1060) = -10 -9 -5 10.6213 12 KVEC( 1061) = -10 -9 5 10.6213 12 KVEC( 1062) = -10 -5 -9 10.6213 12 KVEC( 1063) = -10 -5 9 10.6213 12 KVEC( 1064) = -12 -8 0 10.6727 12 KVEC( 1065) = -12 0 -8 10.6727 12 KVEC( 1066) = -14 -3 -2 10.6984 12 KVEC( 1067) = -14 -3 2 10.6984 12 KVEC( 1068) = -14 -2 -3 10.6984 12 KVEC( 1069) = -14 -2 3 10.6984 12 KVEC( 1070) = -13 -6 -2 10.6984 12 KVEC( 1071) = -13 -6 2 10.6984 12 KVEC( 1072) = -13 -2 -6 10.6984 12 KVEC( 1073) = -13 -2 6 10.6984 12 KVEC( 1074) = -12 -8 -1 10.6984 12 KVEC( 1075) = -12 -8 1 10.6984 12 KVEC( 1076) = -12 -7 -4 10.6984 12 KVEC( 1077) = -12 -7 4 10.6984 12 KVEC( 1078) = -12 -4 -7 10.6984 12 KVEC( 1079) = -12 -4 7 10.6984 12 KVEC( 1080) = -12 -1 -8 10.6984 12 KVEC( 1081) = -12 -1 8 10.6984 12 KVEC( 1082) = -10 -10 -3 10.6984 12 KVEC( 1083) = -10 -10 3 10.6984 12 KVEC( 1084) = -9 -8 -8 10.6984 12 KVEC( 1085) = -9 -8 8 10.6984 12 KVEC( 1086) = -13 -5 -4 10.7239 12 KVEC( 1087) = -13 -5 4 10.7239 12 KVEC( 1088) = -13 -4 -5 10.7239 12 KVEC( 1089) = -13 -4 5 10.7239 12 KVEC( 1090) = -11 -8 -5 10.7239 12 KVEC( 1091) = -11 -8 5 10.7239 12 KVEC( 1092) = -11 -5 -8 10.7239 12 KVEC( 1093) = -11 -5 8 10.7239 12 KVEC( 1094) = -11 -9 -3 10.7494 12 KVEC( 1095) = -11 -9 3 10.7494 12 KVEC( 1096) = -11 -3 -9 10.7494 12 KVEC( 1097) = -11 -3 9 10.7494 12 KVEC( 1098) = -9 -9 -7 10.7494 12 KVEC( 1099) = -9 -9 7 10.7494 12 KVEC( 1100) = -14 -4 0 10.7749 12 KVEC( 1101) = -14 0 -4 10.7749 12 KVEC( 1102) = -12 -8 -2 10.7749 12 KVEC( 1103) = -12 -8 2 10.7749 12 KVEC( 1104) = -12 -2 -8 10.7749 12 KVEC( 1105) = -12 -2 8 10.7749 12 KVEC( 1106) = -14 -4 -1 10.8003 12 KVEC( 1107) = -14 -4 1 10.8003 12 KVEC( 1108) = -14 -1 -4 10.8003 12 KVEC( 1109) = -14 -1 4 10.8003 12 KVEC( 1110) = -10 -8 -7 10.8003 12 KVEC( 1111) = -10 -8 7 10.8003 12 KVEC( 1112) = -10 -7 -8 10.8003 12 KVEC( 1113) = -10 -7 8 10.8003 12 KVEC( 1114) = -14 -3 -3 10.8256 12 KVEC( 1115) = -14 -3 3 10.8256 12 KVEC( 1116) = -13 -6 -3 10.8256 12 KVEC( 1117) = -13 -6 3 10.8256 12 KVEC( 1118) = -13 -3 -6 10.8256 12 KVEC( 1119) = -13 -3 6 10.8256 12 KVEC( 1120) = -14 -4 -2 10.8761 12 KVEC( 1121) = -14 -4 2 10.8761 12 KVEC( 1122) = -14 -2 -4 10.8761 12 KVEC( 1123) = -14 -2 4 10.8761 12 KVEC( 1124) = -12 -6 -6 10.8761 12 KVEC( 1125) = -12 -6 6 10.8761 12 KVEC( 1126) = -10 -10 -4 10.8761 12 KVEC( 1127) = -10 -10 4 10.8761 12 KVEC( 1128) = -12 -8 -3 10.9012 12 KVEC( 1129) = -12 -8 3 10.9012 12 KVEC( 1130) = -12 -3 -8 10.9012 12 KVEC( 1131) = -12 -3 8 10.9012 12 KVEC( 1132) = -10 -9 -6 10.9012 12 KVEC( 1133) = -10 -9 6 10.9012 12 KVEC( 1134) = -10 -6 -9 10.9012 12 KVEC( 1135) = -10 -6 9 10.9012 12 KVEC( 1136) = -13 -7 0 10.9263 12 KVEC( 1137) = -13 0 -7 10.9263 12 KVEC( 1138) = -12 -7 -5 10.9263 12 KVEC( 1139) = -12 -7 5 10.9263 12 KVEC( 1140) = -12 -5 -7 10.9263 12 KVEC( 1141) = -12 -5 7 10.9263 12 KVEC( 1142) = -11 -9 -4 10.9263 12 KVEC( 1143) = -11 -9 4 10.9263 12 KVEC( 1144) = -11 -4 -9 10.9263 12 KVEC( 1145) = -11 -4 9 10.9263 12 KVEC( 1146) = -13 -7 -1 10.9513 12 KVEC( 1147) = -13 -7 1 10.9513 12 KVEC( 1148) = -13 -5 -5 10.9513 12 KVEC( 1149) = -13 -5 5 10.9513 12 KVEC( 1150) = -13 -1 -7 10.9513 12 KVEC( 1151) = -13 -1 7 10.9513 12 KVEC( 1152) = -11 -7 -7 10.9513 12 KVEC( 1153) = -11 -7 7 10.9513 12 KVEC( 1154) = -14 -5 0 11.0012 12 KVEC( 1155) = -14 -4 -3 11.0012 12 KVEC( 1156) = -14 -4 3 11.0012 12 KVEC( 1157) = -14 -3 -4 11.0012 12 KVEC( 1158) = -14 -3 4 11.0012 12 KVEC( 1159) = -14 0 -5 11.0012 12 KVEC( 1160) = -13 -6 -4 11.0012 12 KVEC( 1161) = -13 -6 4 11.0012 12 KVEC( 1162) = -13 -4 -6 11.0012 12 KVEC( 1163) = -13 -4 6 11.0012 12 KVEC( 1164) = -11 -10 0 11.0012 12 KVEC( 1165) = -11 -8 -6 11.0012 12 KVEC( 1166) = -11 -8 6 11.0012 12 KVEC( 1167) = -11 -6 -8 11.0012 12 KVEC( 1168) = -11 -6 8 11.0012 12 KVEC( 1169) = -11 0 -10 11.0012 12 KVEC( 1170) = -14 -5 -1 11.0261 12 KVEC( 1171) = -14 -5 1 11.0261 12 KVEC( 1172) = -14 -1 -5 11.0261 12 KVEC( 1173) = -14 -1 5 11.0261 12 KVEC( 1174) = -13 -7 -2 11.0261 12 KVEC( 1175) = -13 -7 2 11.0261 12 KVEC( 1176) = -13 -2 -7 11.0261 12 KVEC( 1177) = -13 -2 7 11.0261 12 KVEC( 1178) = -11 -10 -1 11.0261 12 KVEC( 1179) = -11 -10 1 11.0261 12 KVEC( 1180) = -11 -1 -10 11.0261 12 KVEC( 1181) = -11 -1 10 11.0261 12 KVEC( 1182) = -12 -8 -4 11.0756 12 KVEC( 1183) = -12 -8 4 11.0756 12 KVEC( 1184) = -12 -4 -8 11.0756 12 KVEC( 1185) = -12 -4 8 11.0756 12 KVEC( 1186) = -15 0 0 11.1003 6 KVEC( 1187) = -14 -5 -2 11.1003 12 KVEC( 1188) = -14 -5 2 11.1003 12 KVEC( 1189) = -14 -2 -5 11.1003 12 KVEC( 1190) = -14 -2 5 11.1003 12 KVEC( 1191) = -12 -9 0 11.1003 12 KVEC( 1192) = -12 0 -9 11.1003 12 KVEC( 1193) = -11 -10 -2 11.1003 12 KVEC( 1194) = -11 -10 2 11.1003 12 KVEC( 1195) = -11 -2 -10 11.1003 12 KVEC( 1196) = -11 -2 10 11.1003 12 KVEC( 1197) = -10 -10 -5 11.1003 12 KVEC( 1198) = -10 -10 5 11.1003 12 KVEC( 1199) = -15 -1 0 11.1250 12 KVEC( 1200) = -15 0 -1 11.1250 12 KVEC( 1201) = -12 -9 -1 11.1250 12 KVEC( 1202) = -12 -9 1 11.1250 12 KVEC( 1203) = -12 -1 -9 11.1250 12 KVEC( 1204) = -12 -1 9 11.1250 12 KVEC( 1205) = -9 -9 -8 11.1250 12 KVEC( 1206) = -9 -9 8 11.1250 12 KVEC( 1207) = -15 -1 -1 11.1496 12 KVEC( 1208) = -15 -1 1 11.1496 12 KVEC( 1209) = -13 -7 -3 11.1496 12 KVEC( 1210) = -13 -7 3 11.1496 12 KVEC( 1211) = -13 -3 -7 11.1496 12 KVEC( 1212) = -13 -3 7 11.1496 12 KVEC( 1213) = -11 -9 -5 11.1496 12 KVEC( 1214) = -11 -9 5 11.1496 12 KVEC( 1215) = -11 -5 -9 11.1496 12 KVEC( 1216) = -11 -5 9 11.1496 12 KVEC( 1217) = -14 -4 -4 11.1741 12 KVEC( 1218) = -14 -4 4 11.1741 12 KVEC( 1219) = -10 -8 -8 11.1741 12 KVEC( 1220) = -10 -8 8 11.1741 12 KVEC( 1221) = -15 -2 0 11.1986 12 KVEC( 1222) = -15 0 -2 11.1986 12 KVEC( 1223) = -12 -9 -2 11.1986 12 KVEC( 1224) = -12 -9 2 11.1986 12 KVEC( 1225) = -12 -7 -6 11.1986 12 KVEC( 1226) = -12 -7 6 11.1986 12 KVEC( 1227) = -12 -6 -7 11.1986 12 KVEC( 1228) = -12 -6 7 11.1986 12 KVEC( 1229) = -12 -2 -9 11.1986 12 KVEC( 1230) = -12 -2 9 11.1986 12 KVEC( 1231) = -15 -2 -1 11.2230 12 KVEC( 1232) = -15 -2 1 11.2230 12 KVEC( 1233) = -15 -1 -2 11.2230 12 KVEC( 1234) = -15 -1 2 11.2230 12 KVEC( 1235) = -14 -5 -3 11.2230 12 KVEC( 1236) = -14 -5 3 11.2230 12 KVEC( 1237) = -14 -3 -5 11.2230 12 KVEC( 1238) = -14 -3 5 11.2230 12 KVEC( 1239) = -13 -6 -5 11.2230 12 KVEC( 1240) = -13 -6 5 11.2230 12 KVEC( 1241) = -13 -5 -6 11.2230 12 KVEC( 1242) = -13 -5 6 11.2230 12 KVEC( 1243) = -11 -10 -3 11.2230 12 KVEC( 1244) = -11 -10 3 11.2230 12 KVEC( 1245) = -11 -3 -10 11.2230 12 KVEC( 1246) = -11 -3 10 11.2230 12 KVEC( 1247) = -10 -9 -7 11.2230 12 KVEC( 1248) = -10 -9 7 11.2230 12 KVEC( 1249) = -10 -7 -9 11.2230 12 KVEC( 1250) = -10 -7 9 11.2230 12 KVEC( 1251) = -14 -6 0 11.2717 12 KVEC( 1252) = -14 0 -6 11.2717 12 KVEC( 1253) = -15 -2 -2 11.2959 12 KVEC( 1254) = -15 -2 2 11.2959 12 KVEC( 1255) = -14 -6 -1 11.2959 12 KVEC( 1256) = -14 -6 1 11.2959 12 KVEC( 1257) = -14 -1 -6 11.2959 12 KVEC( 1258) = -14 -1 6 11.2959 12 KVEC( 1259) = -13 -8 0 11.2959 12 KVEC( 1260) = -13 0 -8 11.2959 12 KVEC( 1261) = -12 -8 -5 11.2959 12 KVEC( 1262) = -12 -8 5 11.2959 12 KVEC( 1263) = -12 -5 -8 11.2959 12 KVEC( 1264) = -12 -5 8 11.2959 12 KVEC( 1265) = -15 -3 0 11.3202 12 KVEC( 1266) = -15 0 -3 11.3202 12 KVEC( 1267) = -13 -8 -1 11.3202 12 KVEC( 1268) = -13 -8 1 11.3202 12 KVEC( 1269) = -13 -7 -4 11.3202 12 KVEC( 1270) = -13 -7 4 11.3202 12 KVEC( 1271) = -13 -4 -7 11.3202 12 KVEC( 1272) = -13 -4 7 11.3202 12 KVEC( 1273) = -13 -1 -8 11.3202 12 KVEC( 1274) = -13 -1 8 11.3202 12 KVEC( 1275) = -12 -9 -3 11.3202 12 KVEC( 1276) = -12 -9 3 11.3202 12 KVEC( 1277) = -12 -3 -9 11.3202 12 KVEC( 1278) = -12 -3 9 11.3202 12 KVEC( 1279) = -11 -8 -7 11.3202 12 KVEC( 1280) = -11 -8 7 11.3202 12 KVEC( 1281) = -11 -7 -8 11.3202 12 KVEC( 1282) = -11 -7 8 11.3202 12 KVEC( 1283) = -15 -3 -1 11.3443 12 KVEC( 1284) = -15 -3 1 11.3443 12 KVEC( 1285) = -15 -1 -3 11.3443 12 KVEC( 1286) = -15 -1 3 11.3443 12 KVEC( 1287) = -14 -6 -2 11.3684 12 KVEC( 1288) = -14 -6 2 11.3684 12 KVEC( 1289) = -14 -2 -6 11.3684 12 KVEC( 1290) = -14 -2 6 11.3684 12 KVEC( 1291) = -10 -10 -6 11.3684 12 KVEC( 1292) = -10 -10 6 11.3684 12 KVEC( 1293) = -14 -5 -4 11.3925 12 KVEC( 1294) = -14 -5 4 11.3925 12 KVEC( 1295) = -14 -4 -5 11.3925 12 KVEC( 1296) = -14 -4 5 11.3925 12 KVEC( 1297) = -13 -8 -2 11.3925 12 KVEC( 1298) = -13 -8 2 11.3925 12 KVEC( 1299) = -13 -2 -8 11.3925 12 KVEC( 1300) = -13 -2 8 11.3925 12 KVEC( 1301) = -11 -10 -4 11.3925 12 KVEC( 1302) = -11 -10 4 11.3925 12 KVEC( 1303) = -11 -4 -10 11.3925 12 KVEC( 1304) = -11 -4 10 11.3925 12 KVEC( 1305) = -15 -3 -2 11.4165 12 KVEC( 1306) = -15 -3 2 11.4165 12 KVEC( 1307) = -15 -2 -3 11.4165 12 KVEC( 1308) = -15 -2 3 11.4165 12 KVEC( 1309) = -11 -9 -6 11.4165 12 KVEC( 1310) = -11 -9 6 11.4165 12 KVEC( 1311) = -11 -6 -9 11.4165 12 KVEC( 1312) = -11 -6 9 11.4165 12 KVEC( 1313) = -15 -4 0 11.4882 12 KVEC( 1314) = -15 0 -4 11.4882 12 KVEC( 1315) = -14 -6 -3 11.4882 12 KVEC( 1316) = -14 -6 3 11.4882 12 KVEC( 1317) = -14 -3 -6 11.4882 12 KVEC( 1318) = -14 -3 6 11.4882 12 KVEC( 1319) = -13 -6 -6 11.4882 12 KVEC( 1320) = -13 -6 6 11.4882 12 KVEC( 1321) = -12 -9 -4 11.4882 12 KVEC( 1322) = -12 -9 4 11.4882 12 KVEC( 1323) = -12 -4 -9 11.4882 12 KVEC( 1324) = -12 -4 9 11.4882 12 KVEC( 1325) = -15 -4 -1 11.5120 12 KVEC( 1326) = -15 -4 1 11.5120 12 KVEC( 1327) = -15 -1 -4 11.5120 12 KVEC( 1328) = -15 -1 4 11.5120 12 KVEC( 1329) = -13 -8 -3 11.5120 12 KVEC( 1330) = -13 -8 3 11.5120 12 KVEC( 1331) = -13 -3 -8 11.5120 12 KVEC( 1332) = -13 -3 8 11.5120 12 KVEC( 1333) = -12 -7 -7 11.5120 12 KVEC( 1334) = -12 -7 7 11.5120 12 KVEC( 1335) = -11 -11 0 11.5120 12 KVEC( 1336) = -15 -3 -3 11.5358 12 KVEC( 1337) = -15 -3 3 11.5358 12 KVEC( 1338) = -13 -7 -5 11.5358 12 KVEC( 1339) = -13 -7 5 11.5358 12 KVEC( 1340) = -13 -5 -7 11.5358 12 KVEC( 1341) = -13 -5 7 11.5358 12 KVEC( 1342) = -11 -11 -1 11.5358 12 KVEC( 1343) = -11 -11 1 11.5358 12 KVEC( 1344) = -9 -9 -9 11.5358 4 KVEC( 1345) = -9 -9 9 11.5358 4 KVEC( 1346) = -12 -10 0 11.5595 12 KVEC( 1347) = -12 -8 -6 11.5595 12 KVEC( 1348) = -12 -8 6 11.5595 12 KVEC( 1349) = -12 -6 -8 11.5595 12 KVEC( 1350) = -12 -6 8 11.5595 12 KVEC( 1351) = -12 0 -10 11.5595 12 KVEC( 1352) = -15 -4 -2 11.5832 12 KVEC( 1353) = -15 -4 2 11.5832 12 KVEC( 1354) = -15 -2 -4 11.5832 12 KVEC( 1355) = -15 -2 4 11.5832 12 KVEC( 1356) = -14 -7 0 11.5832 12 KVEC( 1357) = -14 0 -7 11.5832 12 KVEC( 1358) = -12 -10 -1 11.5832 12 KVEC( 1359) = -12 -10 1 11.5832 12 KVEC( 1360) = -12 -1 -10 11.5832 12 KVEC( 1361) = -12 -1 10 11.5832 12 KVEC( 1362) = -10 -9 -8 11.5832 12 KVEC( 1363) = -10 -9 8 11.5832 12 KVEC( 1364) = -10 -8 -9 11.5832 12 KVEC( 1365) = -10 -8 9 11.5832 12 KVEC( 1366) = -14 -7 -1 11.6068 12 KVEC( 1367) = -14 -7 1 11.6068 12 KVEC( 1368) = -14 -5 -5 11.6068 12 KVEC( 1369) = -14 -5 5 11.6068 12 KVEC( 1370) = -14 -1 -7 11.6068 12 KVEC( 1371) = -14 -1 7 11.6068 12 KVEC( 1372) = -11 -11 -2 11.6068 12 KVEC( 1373) = -11 -11 2 11.6068 12 KVEC( 1374) = -11 -10 -5 11.6068 12 KVEC( 1375) = -11 -10 5 11.6068 12 KVEC( 1376) = -11 -5 -10 11.6068 12 KVEC( 1377) = -11 -5 10 11.6068 12 KVEC( 1378) = -14 -6 -4 11.6539 12 KVEC( 1379) = -14 -6 4 11.6539 12 KVEC( 1380) = -14 -4 -6 11.6539 12 KVEC( 1381) = -14 -4 6 11.6539 12 KVEC( 1382) = -12 -10 -2 11.6539 12 KVEC( 1383) = -12 -10 2 11.6539 12 KVEC( 1384) = -12 -2 -10 11.6539 12 KVEC( 1385) = -12 -2 10 11.6539 12 KVEC( 1386) = -14 -7 -2 11.6773 12 KVEC( 1387) = -14 -7 2 11.6773 12 KVEC( 1388) = -14 -2 -7 11.6773 12 KVEC( 1389) = -14 -2 7 11.6773 12 KVEC( 1390) = -13 -8 -4 11.6773 12 KVEC( 1391) = -13 -8 4 11.6773 12 KVEC( 1392) = -13 -4 -8 11.6773 12 KVEC( 1393) = -13 -4 8 11.6773 12 KVEC( 1394) = -11 -8 -8 11.6773 12 KVEC( 1395) = -11 -8 8 11.6773 12 KVEC( 1396) = -10 -10 -7 11.6773 12 KVEC( 1397) = -10 -10 7 11.6773 12 KVEC( 1398) = -15 -5 0 11.7008 12 KVEC( 1399) = -15 -4 -3 11.7008 12 KVEC( 1400) = -15 -4 3 11.7008 12 KVEC( 1401) = -15 -3 -4 11.7008 12 KVEC( 1402) = -15 -3 4 11.7008 12 KVEC( 1403) = -15 0 -5 11.7008 12 KVEC( 1404) = -13 -9 0 11.7008 12 KVEC( 1405) = -13 0 -9 11.7008 12 KVEC( 1406) = -12 -9 -5 11.7008 12 KVEC( 1407) = -12 -9 5 11.7008 12 KVEC( 1408) = -12 -5 -9 11.7008 12 KVEC( 1409) = -12 -5 9 11.7008 12 KVEC( 1410) = -15 -5 -1 11.7242 12 KVEC( 1411) = -15 -5 1 11.7242 12 KVEC( 1412) = -15 -1 -5 11.7242 12 KVEC( 1413) = -15 -1 5 11.7242 12 KVEC( 1414) = -13 -9 -1 11.7242 12 KVEC( 1415) = -13 -9 1 11.7242 12 KVEC( 1416) = -13 -1 -9 11.7242 12 KVEC( 1417) = -13 -1 9 11.7242 12 KVEC( 1418) = -11 -11 -3 11.7242 12 KVEC( 1419) = -11 -11 3 11.7242 12 KVEC( 1420) = -11 -9 -7 11.7242 12 KVEC( 1421) = -11 -9 7 11.7242 12 KVEC( 1422) = -11 -7 -9 11.7242 12 KVEC( 1423) = -11 -7 9 11.7242 12 KVEC( 1424) = -12 -10 -3 11.7708 12 KVEC( 1425) = -12 -10 3 11.7708 12 KVEC( 1426) = -12 -3 -10 11.7708 12 KVEC( 1427) = -12 -3 10 11.7708 12 KVEC( 1428) = -15 -5 -2 11.7940 12 KVEC( 1429) = -15 -5 2 11.7940 12 KVEC( 1430) = -15 -2 -5 11.7940 12 KVEC( 1431) = -15 -2 5 11.7940 12 KVEC( 1432) = -14 -7 -3 11.7940 12 KVEC( 1433) = -14 -7 3 11.7940 12 KVEC( 1434) = -14 -3 -7 11.7940 12 KVEC( 1435) = -14 -3 7 11.7940 12 KVEC( 1436) = -13 -9 -2 11.7940 12 KVEC( 1437) = -13 -9 2 11.7940 12 KVEC( 1438) = -13 -7 -6 11.7940 12 KVEC( 1439) = -13 -7 6 11.7940 12 KVEC( 1440) = -13 -6 -7 11.7940 12 KVEC( 1441) = -13 -6 7 11.7940 12 KVEC( 1442) = -13 -2 -9 11.7940 12 KVEC( 1443) = -13 -2 9 11.7940 12 KVEC( 1444) = -16 0 0 11.8403 6 KVEC( 1445) = -16 -1 0 11.8635 12 KVEC( 1446) = -16 0 -1 11.8635 12 KVEC( 1447) = -15 -4 -4 11.8635 12 KVEC( 1448) = -15 -4 4 11.8635 12 KVEC( 1449) = -14 -6 -5 11.8635 12 KVEC( 1450) = -14 -6 5 11.8635 12 KVEC( 1451) = -14 -5 -6 11.8635 12 KVEC( 1452) = -14 -5 6 11.8635 12 KVEC( 1453) = -12 -8 -7 11.8635 12 KVEC( 1454) = -12 -8 7 11.8635 12 KVEC( 1455) = -12 -7 -8 11.8635 12 KVEC( 1456) = -12 -7 8 11.8635 12 KVEC( 1457) = -11 -10 -6 11.8635 12 KVEC( 1458) = -11 -10 6 11.8635 12 KVEC( 1459) = -11 -6 -10 11.8635 12 KVEC( 1460) = -11 -6 10 11.8635 12 KVEC( 1461) = -16 -1 -1 11.8865 12 KVEC( 1462) = -16 -1 1 11.8865 12 KVEC( 1463) = -13 -8 -5 11.8865 12 KVEC( 1464) = -13 -8 5 11.8865 12 KVEC( 1465) = -13 -5 -8 11.8865 12 KVEC( 1466) = -13 -5 8 11.8865 12 KVEC( 1467) = -11 -11 -4 11.8865 12 KVEC( 1468) = -11 -11 4 11.8865 12 KVEC( 1469) = -15 -5 -3 11.9095 12 KVEC( 1470) = -15 -5 3 11.9095 12 KVEC( 1471) = -15 -3 -5 11.9095 12 KVEC( 1472) = -15 -3 5 11.9095 12 KVEC( 1473) = -13 -9 -3 11.9095 12 KVEC( 1474) = -13 -9 3 11.9095 12 KVEC( 1475) = -13 -3 -9 11.9095 12 KVEC( 1476) = -13 -3 9 11.9095 12 KVEC( 1477) = -16 -2 0 11.9325 12 KVEC( 1478) = -16 0 -2 11.9325 12 KVEC( 1479) = -14 -8 0 11.9325 12 KVEC( 1480) = -14 0 -8 11.9325 12 KVEC( 1481) = -12 -10 -4 11.9325 12 KVEC( 1482) = -12 -10 4 11.9325 12 KVEC( 1483) = -12 -4 -10 11.9325 12 KVEC( 1484) = -12 -4 10 11.9325 12 KVEC( 1485) = -16 -2 -1 11.9554 12 KVEC( 1486) = -16 -2 1 11.9554 12 KVEC( 1487) = -16 -1 -2 11.9554 12 KVEC( 1488) = -16 -1 2 11.9554 12 KVEC( 1489) = -15 -6 0 11.9554 12 KVEC( 1490) = -15 0 -6 11.9554 12 KVEC( 1491) = -14 -8 -1 11.9554 12 KVEC( 1492) = -14 -8 1 11.9554 12 KVEC( 1493) = -14 -7 -4 11.9554 12 KVEC( 1494) = -14 -7 4 11.9554 12 KVEC( 1495) = -14 -4 -7 11.9554 12 KVEC( 1496) = -14 -4 7 11.9554 12 KVEC( 1497) = -14 -1 -8 11.9554 12 KVEC( 1498) = -14 -1 8 11.9554 12 KVEC( 1499) = -12 -9 -6 11.9554 12 KVEC( 1500) = -12 -9 6 11.9554 12 KVEC( 1501) = -12 -6 -9 11.9554 12 KVEC( 1502) = -12 -6 9 11.9554 12 KVEC( 1503) = -15 -6 -1 11.9783 12 KVEC( 1504) = -15 -6 1 11.9783 12 KVEC( 1505) = -15 -1 -6 11.9783 12 KVEC( 1506) = -15 -1 6 11.9783 12 KVEC( 1507) = -10 -9 -9 11.9783 12 KVEC( 1508) = -10 -9 9 11.9783 12 SIZE INCLUDING STAR MEMBERS = 17845 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... FERMI ENERGY AT 0.776989094596741 SUM RULE OF TETRAHEDRON INTEGRATION CHECKED call eweigh... number of occupied bands: 36 highest energy: 0.772913039126137 insulator ! EF-inconsistency corrected Bandranges (emin - emax) and occupancy: band 1 -3.1224821081 -3.1209774086 0.200000D+01 band 2 -3.1223982656 -3.1209774086 0.200000D+01 band 3 -3.1218888727 -3.1194139798 0.200000D+01 band 4 -3.1209774086 -3.1178431315 0.200000D+01 band 5 -3.1006608058 -3.0990851667 0.200000D+01 band 6 -3.1005579533 -3.0990851667 0.200000D+01 band 7 -3.0994483236 -3.0962300207 0.200000D+01 band 8 -3.0990851665 -3.0954225791 0.200000D+01 band 9 -3.0956777811 -3.0940634836 0.200000D+01 band 10 -3.0951396183 -3.0940634836 0.200000D+01 band 11 -3.0948342474 -3.0936820900 0.200000D+01 band 12 -3.0944672864 -3.0936820900 0.200000D+01 band 13 -0.1886187860 0.1085284286 0.200000D+01 band 14 -0.0612017178 0.1982048590 0.200000D+01 band 15 0.1027786899 0.2694138154 0.200000D+01 band 16 0.1027786899 0.2868067023 0.200000D+01 band 17 0.2700838786 0.4280140145 0.200000D+01 band 18 0.2855513039 0.4280140145 0.200000D+01 band 19 0.3035562887 0.4879049218 0.200000D+01 band 20 0.3035562887 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2.5802504627 2.7606608320 0.000000D+00 band 85 2.7253052687 2.8276004001 0.000000D+00 band 86 2.7372396091 2.8925475547 0.000000D+00 band 87 2.7372396131 2.9023562050 0.000000D+00 band 88 2.7372396131 2.9123816424 0.000000D+00 band 89 2.8513483542 2.9872848260 0.000000D+00 band 90 2.8804239216 2.9917388120 0.000000D+00 band 91 2.9139477531 2.9958953911 0.000000D+00 band 92 2.9276374553 2.9948178158 0.000000D+00 band 93 2.9792341307 2.9960095893 0.000000D+00 eseper below EF 0.500000000000000 eseper minimum gap 5.000000000000000E-002 Energy to separate semicore and valence states: -0.238618785970784 :NOE : NUMBER OF ELECTRONS = 72.000 :FER : F E R M I - ENERGY(TETRAH.M.)= 0.77291 wmist 72.0000000001452 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 = 0.13580 0.13580 0.13580 MULTIPLICITY = 4 NOT EQUIV ATOM Fe1 LOCAL ROTATION MATRIX 0.70711 0.40825 0.57735 -0.70711 0.40825 0.57735 0.00000 -0.81650 0.57735 EQUIV ATOM 1 POSITION: 0.136 0.136 0.136 0.00000 1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 1.00000 0.00000 0.00000 0.00000 EQUIV ATOM 2 POSITION: 0.364 0.864 0.636 0.00000 0.00000 -1.00000 0.50000 -1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 0.50000 EQUIV ATOM 3 POSITION: 0.636 0.364 0.864 0.00000 0.00000 1.00000 0.50000 -1.00000 0.00000 0.00000 0.50000 0.00000 -1.00000 0.00000 0.00000 EQUIV ATOM 4 POSITION: 0.864 0.636 0.364 0.00000 -1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.50000 -1.00000 0.00000 0.00000 0.50000 ATOMIC PARAMETERS FOR Fe1 ENERGY PARAMETERS ARE 0.26 0.44 0.63 0.57 0.57 0.57 0.57 ENERGY PARAMETERS ARE 0.57 0.57 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 -0.573711E+00 0.162254E-01 0.103684E+00 0.338334E+00 0.128523E-01 3 3 3 0 -0.573711E+00 0.162254E-01 0.103684E+00 0.338334E+00 0.128523E-01 3 3 3 1 0.638949E+00 0.197842E+00 -0.766181E-01 -0.330158E+00 0.130028E-01 2 2 2 1 0.638949E+00 0.197842E+00 -0.766181E-01 -0.330158E+00 0.130028E-01 2 2 2 2 0.216829E+00 -0.140583E+00 -0.556336E+00 -0.542396E+00 0.547632E+00 0 0 0 2 0.216829E+00 -0.140583E+00 -0.556336E+00 -0.542396E+00 0.547632E+00 0 0 0 3 0.811623E+00 0.852147E+00 -0.589599E-01 -0.303134E+00 0.369808E-02 0 0 0 3 0.811623E+00 0.852147E+00 -0.589599E-01 -0.303134E+00 0.369808E-02 0 0 0 4 0.933154E+00 0.146602E+01 -0.398351E-01 -0.272390E+00 0.133796E-02 0 0 0 4 0.933154E+00 0.146602E+01 -0.398351E-01 -0.272390E+00 0.133796E-02 0 0 0 5 0.103086E+01 0.211818E+01 -0.302414E-01 -0.252057E+00 0.657718E-03 0 0 0 5 0.103086E+01 0.211818E+01 -0.302414E-01 -0.252057E+00 0.657718E-03 0 0 0 6 0.111678E+01 0.281825E+01 -0.242162E-01 -0.236409E+00 0.370956E-03 0 0 0 6 0.111678E+01 0.281825E+01 -0.242162E-01 -0.236409E+00 0.370956E-03 0 0 0 7 0.119503E+01 0.356652E+01 -0.200448E-01 -0.223636E+00 0.227721E-03 0 0 0 7 0.119503E+01 0.356652E+01 -0.200448E-01 -0.223636E+00 0.227721E-03 0 0 0 8 0.126763E+01 0.436148E+01 -0.169847E-01 -0.212863E+00 0.148391E-03 0 0 0 8 0.126763E+01 0.436148E+01 -0.169847E-01 -0.212863E+00 0.148391E-03 0 0 0 LO COEFFICIENT: l,A,B,C 0 0.84712 4.68736 0.00000 1 -0.633985E-01 0.950312E-01 0 1 0 LO COEFFICIENT: l,A,B,C 1 0.72466 6.04323 0.00000 LO COEFFICIENT: l,A,B,C 1 0.09773 0.00000 0.98499 LO COEFFICIENT: l,A,B,C 2 0.96083 0.37448 0.00000 atom 1 ncomu 0 lmmax 17 LMMAX 17 LM= 0 0 1 0 2 0 3 0 3 3 -3 3 4 0 4 3 -4 3 5 0 5 3 -5 3 6 0 6 3 -6 3 6 6 -6 6 0 TOTAL CHARGE INSIDE SPHERE 1: 13.057342 :PCS001: PARTIAL CHARGES SPHERE = 1 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ :QTL001: 0.3292 6.4177 6.2839 0.0228 2.1433 4.2744 0.0000 1.4275 2.6730 2.1834 0.0000 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: 0.0000 10.0000 5.9778 -3.1047 0.0001 -3.1019 0.0000 10.0000 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: 0.3291 0.2634 0.4399 0.4413 6.2838 0.6311 0.0227 0.5354 EFG INSIDE SPHERE 1: 4.573238 UP TO R = 2.2600000 :POS002: AT.NR. -2 POSITION = 0.84400 0.84400 0.84400 MULTIPLICITY = 4 NOT EQUIV ATOM Si2 LOCAL ROTATION MATRIX 0.70711 0.40825 0.57735 -0.70711 0.40825 0.57735 0.00000 -0.81650 0.57735 EQUIV ATOM 1 POSITION: 0.844 0.844 0.844 0.00000 1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 1.00000 0.00000 0.00000 0.00000 EQUIV ATOM 2 POSITION: 0.656 0.156 0.344 0.00000 0.00000 -1.00000 0.50000 -1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 0.50000 EQUIV ATOM 3 POSITION: 0.344 0.656 0.156 0.00000 0.00000 1.00000 0.50000 -1.00000 0.00000 0.00000 0.50000 0.00000 -1.00000 0.00000 0.00000 EQUIV ATOM 4 POSITION: 0.156 0.344 0.656 0.00000 -1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.50000 -1.00000 0.00000 0.00000 0.50000 ATOMIC PARAMETERS FOR Si2 ENERGY PARAMETERS ARE 0.15 0.46 0.59 0.57 0.57 0.57 0.57 ENERGY PARAMETERS ARE 0.57 0.57 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 0.550390E+00 -0.300290E+00 -0.140105E+00 -0.377791E+00 0.171319E-01 2 2 2 0 0.550390E+00 -0.300290E+00 -0.140105E+00 -0.377791E+00 0.171319E-01 2 2 2 1 -0.632149E+00 0.103828E+00 0.120975E+00 0.375629E+00 0.132944E-01 1 1 1 1 -0.632149E+00 0.103828E+00 0.120975E+00 0.375629E+00 0.132944E-01 1 1 1 2 0.745353E+00 0.286844E+00 -0.105797E+00 -0.376140E+00 0.107169E-01 0 0 0 2 0.745353E+00 0.286844E+00 -0.105797E+00 -0.376140E+00 0.107169E-01 0 0 0 3 0.970257E+00 0.111018E+01 -0.544537E-01 -0.319973E+00 0.207841E-02 0 0 0 3 0.970257E+00 0.111018E+01 -0.544537E-01 -0.319973E+00 0.207841E-02 0 0 0 4 0.111404E+01 0.193751E+01 -0.377470E-01 -0.290052E+00 0.822920E-03 0 0 0 4 0.111404E+01 0.193751E+01 -0.377470E-01 -0.290052E+00 0.822920E-03 0 0 0 5 0.123235E+01 0.282516E+01 -0.287241E-01 -0.268702E+00 0.410381E-03 0 0 0 5 0.123235E+01 0.282516E+01 -0.287241E-01 -0.268702E+00 0.410381E-03 0 0 0 6 0.133662E+01 0.377894E+01 -0.229809E-01 -0.251993E+00 0.231831E-03 0 0 0 6 0.133662E+01 0.377894E+01 -0.229809E-01 -0.251993E+00 0.231831E-03 0 0 0 7 0.143147E+01 0.479805E+01 -0.189964E-01 -0.238292E+00 0.142111E-03 0 0 0 7 0.143147E+01 0.479805E+01 -0.189964E-01 -0.238292E+00 0.142111E-03 0 0 0 8 0.151934E+01 0.588017E+01 -0.160757E-01 -0.226727E+00 0.924115E-04 0 0 0 8 0.151934E+01 0.588017E+01 -0.160757E-01 -0.226727E+00 0.924115E-04 0 0 0 LO COEFFICIENT: l,A,B,C 0 0.88932 3.49364 0.00000 LO COEFFICIENT: l,A,B,C 1 0.85655 4.47583 0.00000 LO COEFFICIENT: l,A,B,C 2 0.80795 5.69206 0.00000 atom 2 ncomu 0 lmmax 17 LMMAX 17 LM= 0 0 1 0 2 0 3 0 3 3 -3 3 4 0 4 3 -4 3 5 0 5 3 -5 3 6 0 6 3 -6 3 6 6 -6 6 0 TOTAL CHARGE INSIDE SPHERE 2: 1.806847 :PCS002: PARTIAL CHARGES SPHERE = 2 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ :QTL002: 0.7402 0.8932 0.1564 0.0143 0.3333 0.5600 0.0000 0.0325 0.0510 0.0729 0.0000 0.0000 Q-s-low E-s-low Q-p-low E-p-low Q-d-low E-d-low Q-f-low E-f-low :EPL002: 0.0003 -3.1093 0.0006 -3.1084 0.0004 -3.1073 0.0002 -3.1066 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: 0.7399 0.1504 0.8927 0.4638 0.1560 0.5850 0.0142 0.6132 EFG INSIDE SPHERE 2: -3.387289 UP TO R = 2.0000000 atpar (cpu,wall): 0.0 0.0 readvec (cpu,wall): 1.7 0.6 readvec, read only (cpu,wall): 1.6 0.6 blocked loop (cpu): 13.5 4.5 reduced (cpu): 0.3 0.1 ilm-tot loop (cpu): 19.5 6.4 ilm-1 loop (cpu): 4.6 ilm-2 loop (cpu): 6.8 ilm-3 loop (cpu): 6.6 write-clm (cpu,wall): 0.1 0.0 write-scf (cpu,wall): 0.0 0.0 write-efg (cpu,wakk): 0.0 0.0 write (cpu,wall): 0.1 0.0 :CHA : TOTAL CHARGE INSIDE UNIT CELL = 72.000000 SUM OF EIGENVALUES: -49.912381 max k indices: 5 5 5 n,iff1,iff2,iff3 515 27 27 27 FORCE-CALCULATION: F 1508 FOURIER COEFFICIENTS CALCULATED LARGEST COMPONENTS: 6 6 6 =====>>> CPU TIME SUMMARY TOTAL : 38.7 ... 100. PERCENT PART FERMI : 0.1 ... 0. PERCENT PART CLM : 35.3 ... 91. PERCENT PART FOURIR : 3.4 ... 9. PERCENT =====>>> WALL TIME SUMMARY TOTAL : 15.2 ... 100. PERCENT PART FERMI : 0.1 ... 0. PERCENT PART CLM : 11.8 ... 78. PERCENT PART FOURIR : 3.3 ... 22. PERCENT