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 = MgFeGe LATTICE = P LATTICE CONSTANTS ARE = 7.3412490 7.3412490 12.1408900 NUMBER OF ATOMS IN UNITCELL = 3 MODE OF CALCULATION IS = RELA TYPE OF COORDINATES IN DSPLIT= generate new recprlist KXMAX,KYMAX,KZMAX 15 15 24 1459 PLANE WAVES GENERATED (INCLUDING FORBIDDEN H,K,L) nwav1,kn 11111 1459 KVEC( 1) = 0 0 0 0.0000 1 KVEC( 2) = 0 0 -1 0.5175 2 KVEC( 3) = -1 0 0 0.8559 4 KVEC( 4) = -1 0 -1 1.0002 8 KVEC( 5) = 0 0 -2 1.0350 2 KVEC( 6) = -1 -1 0 1.2104 4 KVEC( 7) = -1 -1 -1 1.3164 8 KVEC( 8) = -1 0 -2 1.3431 8 KVEC( 9) = 0 0 -3 1.5526 2 KVEC( 10) = -1 -1 -2 1.5926 8 KVEC( 11) = -2 0 0 1.7117 4 KVEC( 12) = -1 0 -3 1.7728 8 KVEC( 13) = -2 0 -1 1.7883 8 KVEC( 14) = -2 -1 0 1.9138 8 KVEC( 15) = -1 -1 -3 1.9686 8 KVEC( 16) = -2 -1 -1 1.9825 16 KVEC( 17) = -2 0 -2 2.0004 8 KVEC( 18) = 0 0 -4 2.0701 2 KVEC( 19) = -2 -1 -2 2.1758 16 KVEC( 20) = -1 0 -4 2.2400 8 KVEC( 21) = -2 0 -3 2.3110 8 KVEC( 22) = -1 -1 -4 2.3980 8 KVEC( 23) = -2 -2 0 2.4208 4 KVEC( 24) = -2 -1 -3 2.4644 16 KVEC( 25) = -2 -2 -1 2.4755 8 KVEC( 26) = -3 0 0 2.5676 4 KVEC( 27) = 0 0 -5 2.5876 2 KVEC( 28) = -3 0 -1 2.6193 8 KVEC( 29) = -2 -2 -2 2.6328 8 KVEC( 30) = -2 0 -4 2.6861 8 KVEC( 31) = -3 -1 0 2.7065 8 KVEC( 32) = -1 0 -5 2.7255 8 KVEC( 33) = -3 -1 -1 2.7555 16 KVEC( 34) = -3 0 -2 2.7684 8 KVEC( 35) = -2 -1 -4 2.8192 16 KVEC( 36) = -1 -1 -5 2.8567 8 KVEC( 37) = -2 -2 -3 2.8759 8 KVEC( 38) = -3 -1 -2 2.8977 16 KVEC( 39) = -3 0 -3 3.0005 8 KVEC( 40) = -3 -2 0 3.0859 8 KVEC( 41) = -2 0 -5 3.1026 8 KVEC( 42) = 0 0 -6 3.1051 2 KVEC( 43) = -3 -1 -3 3.1202 16 KVEC( 44) = -3 -2 -1 3.1290 16 KVEC( 45) = -2 -2 -4 3.1852 8 KVEC( 46) = -2 -1 -5 3.2184 16 KVEC( 47) = -1 0 -6 3.2209 8 KVEC( 48) = -3 -2 -2 3.2549 16 KVEC( 49) = -3 0 -4 3.2982 8 KVEC( 50) = -1 -1 -6 3.3327 8 KVEC( 51) = -3 -1 -4 3.4074 16 KVEC( 52) = -4 0 0 3.4235 4 KVEC( 53) = -3 -2 -3 3.4545 16 KVEC( 54) = -4 0 -1 3.4624 8 KVEC( 55) = -4 -1 0 3.5289 8 KVEC( 56) = -2 -2 -5 3.5434 8 KVEC( 57) = -2 0 -6 3.5457 8 KVEC( 58) = -4 -1 -1 3.5666 16 KVEC( 59) = -4 0 -2 3.5765 8 KVEC( 60) = 0 0 -7 3.6227 2 KVEC( 61) = -3 -3 0 3.6312 4 KVEC( 62) = -3 0 -5 3.6453 8 KVEC( 63) = -2 -1 -6 3.6475 16 KVEC( 64) = -3 -3 -1 3.6679 8 KVEC( 65) = -4 -1 -2 3.6775 16 KVEC( 66) = -3 -2 -4 3.7159 16 KVEC( 67) = -1 0 -7 3.7224 8 KVEC( 68) = -3 -1 -5 3.7445 16 KVEC( 69) = -4 0 -3 3.7591 8 KVEC( 70) = -3 -3 -2 3.7758 8 KVEC( 71) = -1 -1 -7 3.8195 8 KVEC( 72) = -4 -2 0 3.8276 8 KVEC( 73) = -4 -1 -3 3.8553 16 KVEC( 74) = -4 -2 -1 3.8624 16 KVEC( 75) = -2 -2 -6 3.9373 8 KVEC( 76) = -3 -3 -3 3.9492 8 KVEC( 77) = -4 -2 -2 3.9651 16 KVEC( 78) = -4 0 -4 4.0007 8 KVEC( 79) = -2 0 -7 4.0067 8 KVEC( 80) = -3 -2 -5 4.0272 16 KVEC( 81) = -3 0 -6 4.0292 8 KVEC( 82) = -4 -1 -4 4.0912 16 KVEC( 83) = -2 -1 -7 4.0971 16 KVEC( 84) = -3 -1 -6 4.1191 16 KVEC( 85) = -4 -2 -3 4.1305 16 KVEC( 86) = 0 0 -8 4.1402 2 KVEC( 87) = -3 -3 -4 4.1798 8 KVEC( 88) = -1 0 -8 4.2277 8 KVEC( 89) = -5 0 0 4.2794 4 KVEC( 90) = -4 -3 0 4.2794 8 KVEC( 91) = -4 0 -5 4.2914 8 KVEC( 92) = -5 0 -1 4.3106 8 KVEC( 93) = -4 -3 -1 4.3106 16 KVEC( 94) = -1 -1 -8 4.3135 8 KVEC( 95) = -4 -2 -4 4.3515 16 KVEC( 96) = -2 -2 -7 4.3570 8 KVEC( 97) = -5 -1 0 4.3641 8 KVEC( 98) = -4 -1 -5 4.3759 16 KVEC( 99) = -3 -2 -6 4.3777 16 KVEC( 100) = -5 -1 -1 4.3947 16 KVEC( 101) = -5 0 -2 4.4028 8 KVEC( 102) = -4 -3 -2 4.4028 16 KVEC( 103) = -3 0 -7 4.4403 8 KVEC( 104) = -3 -3 -5 4.4588 8 KVEC( 105) = -2 0 -8 4.4801 8 KVEC( 106) = -5 -1 -2 4.4852 16 KVEC( 107) = -3 -1 -7 4.5220 16 KVEC( 108) = -5 0 -3 4.5523 8 KVEC( 109) = -4 -3 -3 4.5523 16 KVEC( 110) = -2 -1 -8 4.5611 16 KVEC( 111) = -5 -2 0 4.6090 8 KVEC( 112) = -4 -2 -5 4.6202 16 KVEC( 113) = -4 0 -6 4.6219 8 KVEC( 114) = -5 -1 -3 4.6321 16 KVEC( 115) = -5 -2 -1 4.6380 16 KVEC( 116) = 0 0 -9 4.6577 2 KVEC( 117) = -4 -1 -6 4.7005 16 KVEC( 118) = -5 -2 -2 4.7238 16 KVEC( 119) = -1 0 -9 4.7357 8 KVEC( 120) = -5 0 -4 4.7538 8 KVEC( 121) = -4 -3 -4 4.7538 16 KVEC( 122) = -3 -2 -7 4.7588 16 KVEC( 123) = -3 -3 -6 4.7778 8 KVEC( 124) = -2 -2 -8 4.7960 8 KVEC( 125) = -1 -1 -9 4.8124 8 KVEC( 126) = -5 -1 -4 4.8302 16 KVEC( 127) = -4 -4 0 4.8416 4 KVEC( 128) = -5 -2 -3 4.8635 16 KVEC( 129) = -4 -4 -1 4.8691 8 KVEC( 130) = -3 0 -8 4.8717 8 KVEC( 131) = -4 -2 -6 4.9287 16 KVEC( 132) = -3 -1 -8 4.9463 16 KVEC( 133) = -4 -4 -2 4.9510 8 KVEC( 134) = -2 0 -9 4.9623 8 KVEC( 135) = -4 0 -7 4.9844 8 KVEC( 136) = -5 -3 0 4.9906 8 KVEC( 137) = -5 0 -5 5.0009 8 KVEC( 138) = -4 -3 -5 5.0009 16 KVEC( 139) = -5 -3 -1 5.0173 16 KVEC( 140) = -2 -1 -9 5.0356 16 KVEC( 141) = -5 -2 -4 5.0526 16 KVEC( 142) = -4 -1 -7 5.0573 16 KVEC( 143) = -5 -1 -5 5.0736 16 KVEC( 144) = -4 -4 -3 5.0844 8 KVEC( 145) = -5 -3 -2 5.0968 16 KVEC( 146) = -3 -3 -7 5.1292 8 KVEC( 147) = -6 0 0 5.1352 4 KVEC( 148) = -6 0 -1 5.1613 8 KVEC( 149) = -3 -2 -8 5.1637 16 KVEC( 150) = 0 0 -10 5.1752 2 KVEC( 151) = -6 -1 0 5.2061 8 KVEC( 152) = -5 -3 -3 5.2265 16 KVEC( 153) = -6 -1 -1 5.2317 16 KVEC( 154) = -6 0 -2 5.2385 8 KVEC( 155) = -1 0 -10 5.2455 8 KVEC( 156) = -2 -2 -9 5.2492 8 KVEC( 157) = -4 -4 -4 5.2655 8 KVEC( 158) = -4 -2 -7 5.2701 16 KVEC( 159) = -5 -2 -5 5.2857 16 KVEC( 160) = -5 0 -6 5.2872 8 KVEC( 161) = -4 -3 -6 5.2872 16 KVEC( 162) = -6 -1 -2 5.3080 16 KVEC( 163) = -1 -1 -10 5.3149 8 KVEC( 164) = -3 0 -9 5.3185 8 KVEC( 165) = -5 -1 -6 5.3561 16 KVEC( 166) = -6 0 -3 5.3648 8 KVEC( 167) = -4 0 -8 5.3723 8 KVEC( 168) = -3 -1 -9 5.3870 16 KVEC( 169) = -5 -3 -4 5.4029 16 KVEC( 170) = -6 -2 0 5.4130 8 KVEC( 171) = -6 -1 -3 5.4327 16 KVEC( 172) = -6 -2 -1 5.4377 16 KVEC( 173) = -4 -1 -8 5.4400 16 KVEC( 174) = -2 0 -10 5.4510 8 KVEC( 175) = -5 -4 0 5.4803 8 KVEC( 176) = -4 -4 -5 5.4897 8 KVEC( 177) = -5 -4 -1 5.5047 16 KVEC( 178) = -3 -3 -8 5.5069 8 KVEC( 179) = -6 -2 -2 5.5111 16 KVEC( 180) = -2 -1 -10 5.5178 16 KVEC( 181) = -6 0 -4 5.5368 8 KVEC( 182) = -5 -2 -6 5.5574 16 KVEC( 183) = -5 -4 -2 5.5772 16 KVEC( 184) = -3 -2 -9 5.5872 16 KVEC( 185) = -6 -1 -4 5.6025 16 KVEC( 186) = -5 0 -7 5.6068 8 KVEC( 187) = -4 -3 -7 5.6068 16 KVEC( 188) = -5 -3 -5 5.6215 16 KVEC( 189) = -6 -2 -3 5.6313 16 KVEC( 190) = -4 -2 -8 5.6384 16 KVEC( 191) = -5 -1 -7 5.6718 16 KVEC( 192) = 0 0 -11 5.6927 2 KVEC( 193) = -5 -4 -3 5.6959 16 KVEC( 194) = -2 -2 -10 5.7134 8 KVEC( 195) = -6 -3 0 5.7414 8 KVEC( 196) = -6 0 -5 5.7503 8 KVEC( 197) = -4 -4 -6 5.7517 8 KVEC( 198) = -1 0 -11 5.7567 8 KVEC( 199) = -6 -3 -1 5.7647 16 KVEC( 200) = -3 0 -10 5.7772 8 KVEC( 201) = -4 0 -9 5.7805 8 KVEC( 202) = -6 -2 -4 5.7954 16 KVEC( 203) = -6 -1 -5 5.8137 16 KVEC( 204) = -1 -1 -11 5.8200 8 KVEC( 205) = -6 -3 -2 5.8339 16 KVEC( 206) = -3 -1 -10 5.8402 16 KVEC( 207) = -4 -1 -9 5.8435 16 KVEC( 208) = -5 -4 -4 5.8582 16 KVEC( 209) = -5 -2 -7 5.8623 16 KVEC( 210) = -5 -3 -6 5.8777 16 KVEC( 211) = -3 -3 -9 5.9059 8 KVEC( 212) = -2 0 -11 5.9445 8 KVEC( 213) = -6 -3 -3 5.9476 16 KVEC( 214) = -5 0 -8 5.9543 8 KVEC( 215) = -4 -3 -8 5.9543 16 KVEC( 216) = -7 0 0 5.9911 4 KVEC( 217) = -6 -2 -5 5.9997 16 KVEC( 218) = -6 0 -6 6.0011 8 KVEC( 219) = -2 -1 -11 6.0058 16 KVEC( 220) = -7 0 -1 6.0134 8 KVEC( 221) = -5 -1 -8 6.0155 16 KVEC( 222) = -3 -2 -10 6.0254 16 KVEC( 223) = -4 -2 -9 6.0286 16 KVEC( 224) = -4 -4 -7 6.0468 8 KVEC( 225) = -7 -1 0 6.0519 8 KVEC( 226) = -5 -5 0 6.0519 4 KVEC( 227) = -5 -4 -5 6.0605 16 KVEC( 228) = -6 -1 -6 6.0618 16 KVEC( 229) = -7 -1 -1 6.0740 16 KVEC( 230) = -5 -5 -1 6.0740 8 KVEC( 231) = -7 0 -2 6.0799 8 KVEC( 232) = -6 -3 -4 6.1032 16 KVEC( 233) = -7 -1 -2 6.1398 16 KVEC( 234) = -5 -5 -2 6.1398 8 KVEC( 235) = -5 -3 -7 6.1668 16 KVEC( 236) = -6 -4 0 6.1718 8 KVEC( 237) = -2 -2 -11 6.1861 8 KVEC( 238) = -7 0 -3 6.1890 8 KVEC( 239) = -6 -4 -1 6.1935 16 KVEC( 240) = -5 -2 -8 6.1955 16 KVEC( 241) = -4 0 -10 6.2051 8 KVEC( 242) = 0 0 -12 6.2103 2 KVEC( 243) = -7 -2 0 6.2309 8 KVEC( 244) = -6 -2 -6 6.2404 16 KVEC( 245) = -3 0 -11 6.2450 8 KVEC( 246) = -7 -1 -3 6.2479 16 KVEC( 247) = -5 -5 -3 6.2479 8 KVEC( 248) = -7 -2 -1 6.2523 16 KVEC( 249) = -6 -4 -2 6.2580 16 KVEC( 250) = -4 -1 -10 6.2639 16 KVEC( 251) = -1 0 -12 6.2690 8 KVEC( 252) = -6 0 -7 6.2845 8 KVEC( 253) = -6 -3 -5 6.2976 16 KVEC( 254) = -5 -4 -6 6.2988 16 KVEC( 255) = -3 -1 -11 6.3034 16 KVEC( 256) = -7 -2 -2 6.3162 16 KVEC( 257) = -3 -3 -10 6.3221 8 KVEC( 258) = -5 0 -9 6.3251 8 KVEC( 259) = -4 -3 -9 6.3251 16 KVEC( 260) = -1 -1 -12 6.3271 8 KVEC( 261) = -7 0 -4 6.3387 8 KVEC( 262) = -6 -1 -7 6.3425 16 KVEC( 263) = -6 -4 -3 6.3641 16 KVEC( 264) = -4 -4 -8 6.3704 8 KVEC( 265) = -5 -1 -9 6.3828 16 KVEC( 266) = -7 -1 -4 6.3962 16 KVEC( 267) = -5 -5 -4 6.3962 8 KVEC( 268) = -7 -2 -3 6.4214 16 KVEC( 269) = -4 -2 -10 6.4369 16 KVEC( 270) = -2 0 -12 6.4419 8 KVEC( 271) = -3 -2 -11 6.4754 16 KVEC( 272) = -5 -3 -8 6.4844 16 KVEC( 273) = -2 -1 -12 6.4985 16 KVEC( 274) = -6 -4 -4 6.5097 16 KVEC( 275) = -6 -2 -7 6.5134 16 KVEC( 276) = -7 -3 0 6.5181 8 KVEC( 277) = -7 0 -5 6.5260 8 KVEC( 278) = -6 -3 -6 6.5273 16 KVEC( 279) = -7 -3 -1 6.5387 16 KVEC( 280) = -5 -2 -9 6.5527 16 KVEC( 281) = -7 -2 -4 6.5657 16 KVEC( 282) = -5 -4 -7 6.5694 16 KVEC( 283) = -7 -1 -5 6.5819 16 KVEC( 284) = -5 -5 -5 6.5819 8 KVEC( 285) = -6 0 -8 6.5964 8 KVEC( 286) = -7 -3 -2 6.5998 16 KVEC( 287) = -4 0 -11 6.6429 8 KVEC( 288) = -6 -1 -8 6.6516 16 KVEC( 289) = -2 -2 -12 6.6654 8 KVEC( 290) = -6 -5 0 6.6846 8 KVEC( 291) = -6 -4 -5 6.6923 16 KVEC( 292) = -4 -1 -11 6.6978 16 KVEC( 293) = -7 -3 -3 6.7005 16 KVEC( 294) = -6 -5 -1 6.7046 16 KVEC( 295) = -5 0 -10 6.7154 8 KVEC( 296) = -4 -3 -10 6.7154 16 KVEC( 297) = -4 -4 -9 6.7182 8 KVEC( 298) = -3 0 -12 6.7201 8 KVEC( 299) = 0 0 -13 6.7278 2 KVEC( 300) = -7 -2 -5 6.7468 16 KVEC( 301) = -7 0 -6 6.7480 8 KVEC( 302) = -3 -3 -11 6.7522 8 KVEC( 303) = -6 -5 -2 6.7642 16 KVEC( 304) = -5 -1 -10 6.7697 16 KVEC( 305) = -3 -1 -12 6.7744 16 KVEC( 306) = -1 0 -13 6.7820 8 KVEC( 307) = -6 -3 -7 6.7887 16 KVEC( 308) = -7 -1 -6 6.8021 16 KVEC( 309) = -5 -5 -6 6.8021 8 KVEC( 310) = -6 -2 -8 6.8148 16 KVEC( 311) = -5 -3 -9 6.8264 16 KVEC( 312) = -1 -1 -13 6.8358 8 KVEC( 313) = -7 -3 -4 6.8390 16 KVEC( 314) = -8 0 0 6.8470 4 KVEC( 315) = -4 -2 -11 6.8599 16 KVEC( 316) = -6 -5 -3 6.8625 16 KVEC( 317) = -8 0 -1 6.8665 8 KVEC( 318) = -5 -4 -8 6.8684 16 KVEC( 319) = -8 -1 0 6.9003 8 KVEC( 320) = -7 -4 0 6.9003 8 KVEC( 321) = -6 -4 -6 6.9089 16 KVEC( 322) = -8 -1 -1 6.9197 16 KVEC( 323) = -7 -4 -1 6.9197 16 KVEC( 324) = -8 0 -2 6.9248 8 KVEC( 325) = -5 -2 -10 6.9301 16 KVEC( 326) = -6 0 -9 6.9329 8 KVEC( 327) = -3 -2 -12 6.9347 16 KVEC( 328) = -2 0 -13 6.9421 8 KVEC( 329) = -7 -2 -6 6.9617 16 KVEC( 330) = -8 -1 -2 6.9775 16 KVEC( 331) = -7 -4 -2 6.9775 16 KVEC( 332) = -6 -1 -9 6.9855 16 KVEC( 333) = -2 -1 -13 6.9947 16 KVEC( 334) = -6 -5 -4 6.9978 16 KVEC( 335) = -7 0 -7 7.0012 8 KVEC( 336) = -7 -3 -5 7.0130 16 KVEC( 337) = -8 0 -3 7.0208 8 KVEC( 338) = -7 -1 -7 7.0533 16 KVEC( 339) = -5 -5 -7 7.0533 8 KVEC( 340) = -8 -2 0 7.0577 8 KVEC( 341) = -8 -1 -3 7.0728 16 KVEC( 342) = -7 -4 -3 7.0728 16 KVEC( 343) = -8 -2 -1 7.0767 16 KVEC( 344) = -6 -3 -8 7.0785 16 KVEC( 345) = -4 -4 -10 7.0869 8 KVEC( 346) = -4 0 -12 7.0914 8 KVEC( 347) = -5 0 -11 7.1218 8 KVEC( 348) = -4 -3 -11 7.1218 16 KVEC( 349) = -8 -2 -2 7.1332 16 KVEC( 350) = -6 -2 -9 7.1411 16 KVEC( 351) = -4 -1 -12 7.1429 16 KVEC( 352) = -2 -2 -13 7.1501 8 KVEC( 353) = -8 0 -4 7.1531 8 KVEC( 354) = -6 -4 -7 7.1564 16 KVEC( 355) = -6 -5 -5 7.1679 16 KVEC( 356) = -5 -1 -11 7.1731 16 KVEC( 357) = -5 -3 -10 7.1895 16 KVEC( 358) = -5 -4 -9 7.1922 16 KVEC( 359) = -3 -3 -12 7.1939 8 KVEC( 360) = -3 0 -13 7.2011 8 KVEC( 361) = -8 -1 -4 7.2041 16 KVEC( 362) = -7 -4 -4 7.2041 16 KVEC( 363) = -7 -2 -7 7.2074 16 KVEC( 364) = -7 -3 -6 7.2200 16 KVEC( 365) = -8 -2 -3 7.2265 16 KVEC( 366) = 0 0 -14 7.2453 2 KVEC( 367) = -3 -1 -13 7.2518 16 KVEC( 368) = -6 -6 0 7.2623 4 KVEC( 369) = -6 -6 -1 7.2807 8 KVEC( 370) = -7 0 -8 7.2825 8 KVEC( 371) = -6 0 -10 7.2907 8 KVEC( 372) = -4 -2 -12 7.2951 16 KVEC( 373) = -1 0 -14 7.2957 8 KVEC( 374) = -8 -3 0 7.3126 8 KVEC( 375) = -8 0 -5 7.3196 8 KVEC( 376) = -5 -2 -11 7.3246 16 KVEC( 377) = -8 -3 -1 7.3309 16 KVEC( 378) = -7 -1 -8 7.3326 16 KVEC( 379) = -5 -5 -8 7.3326 8 KVEC( 380) = -6 -6 -2 7.3357 8 KVEC( 381) = -6 -1 -10 7.3407 16 KVEC( 382) = -1 -1 -14 7.3457 8 KVEC( 383) = -8 -2 -4 7.3550 16 KVEC( 384) = -7 -5 0 7.3625 8 KVEC( 385) = -8 -1 -5 7.3695 16 KVEC( 386) = -7 -4 -5 7.3695 16 KVEC( 387) = -6 -5 -6 7.3706 16 KVEC( 388) = -7 -5 -1 7.3807 16 KVEC( 389) = -8 -3 -2 7.3855 16 KVEC( 390) = -6 -3 -9 7.3931 16 KVEC( 391) = -3 -2 -13 7.4018 16 KVEC( 392) = -6 -6 -3 7.4264 8 KVEC( 393) = -6 -4 -8 7.4318 16 KVEC( 394) = -7 -5 -2 7.4349 16 KVEC( 395) = -2 0 -14 7.4448 8 KVEC( 396) = -7 -3 -7 7.4572 16 KVEC( 397) = -4 -4 -11 7.4732 8 KVEC( 398) = -8 -3 -3 7.4756 16 KVEC( 399) = -7 -2 -8 7.4810 16 KVEC( 400) = -6 -2 -10 7.4889 16 KVEC( 401) = -2 -1 -14 7.4938 16 KVEC( 402) = -8 -2 -5 7.5171 16 KVEC( 403) = -8 0 -6 7.5182 8 KVEC( 404) = -7 -5 -3 7.5244 16 KVEC( 405) = -5 -4 -10 7.5377 16 KVEC( 406) = -5 0 -12 7.5419 8 KVEC( 407) = -4 -3 -12 7.5419 16 KVEC( 408) = -4 0 -13 7.5487 8 KVEC( 409) = -6 -6 -4 7.5516 8 KVEC( 410) = -8 -1 -6 7.5667 16 KVEC( 411) = -7 -4 -6 7.5667 16 KVEC( 412) = -5 -3 -11 7.5705 16 KVEC( 413) = -7 0 -9 7.5887 8 KVEC( 414) = -5 -1 -12 7.5903 16 KVEC( 415) = -4 -1 -13 7.5971 16 KVEC( 416) = -8 -3 -4 7.6000 16 KVEC( 417) = -6 -5 -7 7.6031 16 KVEC( 418) = -7 -1 -9 7.6368 16 KVEC( 419) = -5 -5 -9 7.6368 8 KVEC( 420) = -2 -2 -14 7.6390 8 KVEC( 421) = -3 -3 -13 7.6452 8 KVEC( 422) = -7 -5 -4 7.6480 16 KVEC( 423) = -8 -4 0 7.6552 8 KVEC( 424) = -6 0 -11 7.6667 8 KVEC( 425) = -8 -4 -1 7.6726 16 KVEC( 426) = -3 0 -14 7.6868 8 KVEC( 427) = -9 0 0 7.7029 4 KVEC( 428) = -6 -6 -5 7.7096 8 KVEC( 429) = -8 -2 -6 7.7106 16 KVEC( 430) = -6 -1 -11 7.7143 16 KVEC( 431) = -9 0 -1 7.7202 8 KVEC( 432) = -7 -3 -8 7.7219 16 KVEC( 433) = -8 -4 -2 7.7248 16 KVEC( 434) = -6 -3 -10 7.7296 16 KVEC( 435) = -6 -4 -9 7.7321 16 KVEC( 436) = -5 -2 -12 7.7337 16 KVEC( 437) = -3 -1 -14 7.7343 16 KVEC( 438) = -4 -2 -13 7.7404 16 KVEC( 439) = -8 0 -7 7.7463 8 KVEC( 440) = -9 -1 0 7.7503 8 KVEC( 441) = -8 -3 -5 7.7569 16 KVEC( 442) = 0 0 -15 7.7628 2 KVEC( 443) = -9 -1 -1 7.7675 16 KVEC( 444) = -9 0 -2 7.7721 8 KVEC( 445) = -7 -2 -9 7.7793 16 KVEC( 446) = -8 -1 -7 7.7934 16 KVEC( 447) = -7 -4 -7 7.7934 16 KVEC( 448) = -7 -5 -5 7.8040 16 KVEC( 449) = -1 0 -15 7.8099 8 KVEC( 450) = -8 -4 -3 7.8110 16 KVEC( 451) = -9 -1 -2 7.8191 16 KVEC( 452) = -6 -2 -11 7.8555 16 KVEC( 453) = -1 -1 -15 7.8566 8 KVEC( 454) = -9 0 -3 7.8578 8 KVEC( 455) = -6 -5 -8 7.8629 16 KVEC( 456) = -4 -4 -12 7.8745 8 KVEC( 457) = -3 -2 -14 7.8751 16 KVEC( 458) = -9 -2 0 7.8908 8 KVEC( 459) = -7 -6 0 7.8908 8 KVEC( 460) = -6 -6 -6 7.8983 8 KVEC( 461) = -5 -4 -11 7.9019 16 KVEC( 462) = -9 -1 -3 7.9042 16 KVEC( 463) = -9 -2 -1 7.9077 16 KVEC( 464) = -7 -6 -1 7.9077 16 KVEC( 465) = -7 0 -10 7.9168 8 KVEC( 466) = -8 -4 -4 7.9301 16 KVEC( 467) = -8 -2 -7 7.9332 16 KVEC( 468) = -8 -3 -6 7.9445 16 KVEC( 469) = -2 0 -15 7.9493 8 KVEC( 470) = -9 -2 -2 7.9584 16 KVEC( 471) = -7 -6 -2 7.9584 16 KVEC( 472) = -7 -1 -10 7.9630 16 KVEC( 473) = -5 -5 -10 7.9630 8 KVEC( 474) = -5 -3 -12 7.9670 16 KVEC( 475) = -5 0 -13 7.9735 8 KVEC( 476) = -4 -3 -13 7.9735 16 KVEC( 477) = -9 0 -4 7.9762 8 KVEC( 478) = -7 -5 -6 7.9905 16 KVEC( 479) = -2 -1 -15 7.9953 16 KVEC( 480) = -8 0 -8 8.0014 8 KVEC( 481) = -7 -3 -9 8.0113 16 KVEC( 482) = -4 0 -14 8.0134 8 KVEC( 483) = -5 -1 -13 8.0193 16 KVEC( 484) = -9 -1 -4 8.0220 16 KVEC( 485) = -9 -2 -3 8.0421 16 KVEC( 486) = -7 -6 -3 8.0421 16 KVEC( 487) = -8 -1 -8 8.0470 16 KVEC( 488) = -7 -4 -8 8.0470 16 KVEC( 489) = -6 -4 -10 8.0544 16 KVEC( 490) = -6 0 -12 8.0584 8 KVEC( 491) = -4 -1 -14 8.0590 16 KVEC( 492) = -8 -5 0 8.0743 8 KVEC( 493) = -8 -4 -5 8.0807 16 KVEC( 494) = -6 -3 -11 8.0852 16 KVEC( 495) = -8 -5 -1 8.0909 16 KVEC( 496) = -7 -2 -10 8.0998 16 KVEC( 497) = -6 -1 -12 8.1037 16 KVEC( 498) = -3 -3 -14 8.1043 8 KVEC( 499) = -6 -6 -7 8.1157 8 KVEC( 500) = -9 -3 0 8.1195 8 KVEC( 501) = -9 0 -5 8.1259 8 KVEC( 502) = -2 -2 -15 8.1315 8 KVEC( 503) = -9 -3 -1 8.1360 16 KVEC( 504) = -8 -5 -2 8.1404 16 KVEC( 505) = -6 -5 -9 8.1473 16 KVEC( 506) = -5 -2 -13 8.1551 16 KVEC( 507) = -9 -2 -4 8.1578 16 KVEC( 508) = -7 -6 -4 8.1578 16 KVEC( 509) = -8 -3 -7 8.1607 16 KVEC( 510) = -9 -1 -5 8.1708 16 KVEC( 511) = -3 0 -15 8.1765 8 KVEC( 512) = -8 -2 -8 8.1825 16 KVEC( 513) = -9 -3 -2 8.1852 16 KVEC( 514) = -4 -2 -14 8.1942 16 KVEC( 515) = -7 -5 -7 8.2055 16 KVEC( 516) = -3 -1 -15 8.2211 16 KVEC( 517) = -8 -5 -3 8.2222 16 KVEC( 518) = -6 -2 -12 8.2382 16 KVEC( 519) = -8 -4 -6 8.2610 16 KVEC( 520) = -7 0 -11 8.2644 8 KVEC( 521) = -9 -3 -3 8.2666 16 KVEC( 522) = 0 0 -16 8.2804 2 KVEC( 523) = -8 0 -9 8.2810 8 KVEC( 524) = -5 -4 -12 8.2826 16 KVEC( 525) = -4 -4 -13 8.2888 8 KVEC( 526) = -9 -2 -5 8.3042 16 KVEC( 527) = -7 -6 -5 8.3042 16 KVEC( 528) = -9 0 -6 8.3052 8 KVEC( 529) = -7 -1 -11 8.3086 16 KVEC( 530) = -5 -5 -11 8.3086 8 KVEC( 531) = -7 -3 -10 8.3228 16 KVEC( 532) = -1 0 -16 8.3245 8 KVEC( 533) = -8 -1 -9 8.3251 16 KVEC( 534) = -7 -4 -9 8.3251 16 KVEC( 535) = -8 -5 -4 8.3354 16 KVEC( 536) = -9 -1 -6 8.3492 16 KVEC( 537) = -3 -2 -15 8.3537 16 KVEC( 538) = -6 -6 -8 8.3596 8 KVEC( 539) = -1 -1 -16 8.3684 8 KVEC( 540) = -5 -3 -13 8.3767 16 KVEC( 541) = -9 -3 -4 8.3793 16 KVEC( 542) = -6 -4 -11 8.3963 16 KVEC( 543) = -8 -3 -8 8.4033 16 KVEC( 544) = -5 0 -14 8.4147 8 KVEC( 545) = -4 -3 -14 8.4147 16 KVEC( 546) = -9 -4 0 8.4294 8 KVEC( 547) = -7 -2 -11 8.4398 16 KVEC( 548) = -9 -4 -1 8.4453 16 KVEC( 549) = -7 -5 -8 8.4468 16 KVEC( 550) = -6 -5 -10 8.4538 16 KVEC( 551) = -2 0 -16 8.4554 8 KVEC( 552) = -8 -2 -9 8.4561 16 KVEC( 553) = -6 -3 -12 8.4576 16 KVEC( 554) = -5 -1 -14 8.4581 16 KVEC( 555) = -6 0 -13 8.4637 8 KVEC( 556) = -8 -4 -7 8.4691 16 KVEC( 557) = -7 -7 0 8.4727 4 KVEC( 558) = -8 -5 -5 8.4788 16 KVEC( 559) = -9 -2 -6 8.4797 16 KVEC( 560) = -7 -6 -6 8.4797 16 KVEC( 561) = -4 0 -15 8.4842 8 KVEC( 562) = -7 -7 -1 8.4885 8 KVEC( 563) = -9 -4 -2 8.4927 16 KVEC( 564) = -2 -1 -16 8.4986 16 KVEC( 565) = -6 -1 -13 8.5068 16 KVEC( 566) = -9 0 -7 8.5122 8 KVEC( 567) = -9 -3 -5 8.5219 16 KVEC( 568) = -4 -1 -15 8.5273 16 KVEC( 569) = -7 -7 -2 8.5357 8 KVEC( 570) = -9 -1 -7 8.5551 16 KVEC( 571) = -10 0 0 8.5587 4 KVEC( 572) = -8 -6 0 8.5587 8 KVEC( 573) = -3 -3 -15 8.5701 8 KVEC( 574) = -9 -4 -3 8.5712 16 KVEC( 575) = -10 0 -1 8.5744 8 KVEC( 576) = -8 -6 -1 8.5744 16 KVEC( 577) = -8 0 -10 8.5828 8 KVEC( 578) = -5 -2 -14 8.5871 16 KVEC( 579) = -10 -1 0 8.6014 8 KVEC( 580) = -7 -7 -3 8.6138 8 KVEC( 581) = -10 -1 -1 8.6170 16 KVEC( 582) = -10 0 -2 8.6211 8 KVEC( 583) = -8 -6 -2 8.6211 16 KVEC( 584) = -8 -1 -10 8.6254 16 KVEC( 585) = -7 -4 -10 8.6254 16 KVEC( 586) = -2 -2 -16 8.6270 8 KVEC( 587) = -6 -6 -9 8.6276 8 KVEC( 588) = -7 0 -12 8.6291 8 KVEC( 589) = -6 -2 -13 8.6350 16 KVEC( 590) = -8 -5 -6 8.6508 16 KVEC( 591) = -7 -3 -11 8.6541 16 KVEC( 592) = -4 -2 -15 8.6552 16 KVEC( 593) = -10 -1 -2 8.6635 16 KVEC( 594) = -3 0 -16 8.6693 8 KVEC( 595) = -8 -3 -9 8.6700 16 KVEC( 596) = -7 -1 -12 8.6714 16 KVEC( 597) = -5 -5 -12 8.6714 8 KVEC( 598) = -5 -4 -13 8.6774 16 KVEC( 599) = -9 -4 -4 8.6798 16 KVEC( 600) = -9 -2 -7 8.6826 16 KVEC( 601) = -7 -6 -7 8.6826 16 KVEC( 602) = -9 -3 -6 8.6930 16 KVEC( 603) = -10 0 -3 8.6984 8 KVEC( 604) = -8 -6 -3 8.6984 16 KVEC( 605) = -8 -4 -8 8.7030 16 KVEC( 606) = -3 -1 -16 8.7115 16 KVEC( 607) = -7 -5 -9 8.7121 16 KVEC( 608) = -4 -4 -14 8.7141 8 KVEC( 609) = -7 -7 -4 8.7219 8 KVEC( 610) = -10 -2 0 8.7282 8 KVEC( 611) = -10 -1 -3 8.7404 16 KVEC( 612) = -10 -2 -1 8.7436 16 KVEC( 613) = -9 0 -8 8.7450 8 KVEC( 614) = -8 -2 -10 8.7518 16 KVEC( 615) = -6 -4 -12 8.7555 16 KVEC( 616) = -6 -5 -11 8.7802 16 KVEC( 617) = -9 -1 -8 8.7868 16 KVEC( 618) = -10 -2 -2 8.7894 16 KVEC( 619) = -7 -2 -12 8.7972 16 KVEC( 620) = -5 -3 -14 8.7977 16 KVEC( 621) = 0 0 -17 8.7979 2 KVEC( 622) = -10 0 -4 8.8055 8 KVEC( 623) = -8 -6 -4 8.8055 16 KVEC( 624) = -9 -5 0 8.8118 8 KVEC( 625) = -9 -4 -5 8.8176 16 KVEC( 626) = -9 -5 -1 8.8269 16 KVEC( 627) = -3 -2 -16 8.8367 16 KVEC( 628) = -1 0 -17 8.8394 8 KVEC( 629) = -6 -3 -13 8.8446 16 KVEC( 630) = -10 -1 -4 8.8470 16 KVEC( 631) = -8 -5 -7 8.8497 16 KVEC( 632) = -7 -7 -5 8.8590 8 KVEC( 633) = -5 0 -15 8.8642 8 KVEC( 634) = -4 -3 -15 8.8642 16 KVEC( 635) = -10 -2 -3 8.8652 16 KVEC( 636) = -9 -5 -2 8.8723 16 KVEC( 637) = -6 0 -14 8.8806 8 KVEC( 638) = -1 -1 -17 8.8808 8 KVEC( 639) = -9 -3 -7 8.8910 16 KVEC( 640) = -8 0 -11 8.9044 8 KVEC( 641) = -5 -1 -15 8.9055 16 KVEC( 642) = -9 -2 -8 8.9110 16 KVEC( 643) = -7 -6 -8 8.9110 16 KVEC( 644) = -6 -6 -10 8.9176 8 KVEC( 645) = -6 -1 -14 8.9218 16 KVEC( 646) = -10 -3 0 8.9356 8 KVEC( 647) = -10 0 -5 8.9414 8 KVEC( 648) = -8 -6 -5 8.9414 16 KVEC( 649) = -8 -1 -11 8.9455 16 KVEC( 650) = -7 -4 -11 8.9455 16 KVEC( 651) = -9 -5 -3 8.9475 16 KVEC( 652) = -10 -3 -1 8.9506 16 KVEC( 653) = -8 -3 -10 8.9586 16 KVEC( 654) = -4 0 -16 8.9602 8 KVEC( 655) = -8 -4 -9 8.9608 16 KVEC( 656) = -2 0 -17 8.9629 8 KVEC( 657) = -10 -2 -4 8.9704 16 KVEC( 658) = -10 -1 -5 8.9822 16 KVEC( 659) = -9 -4 -6 8.9831 16 KVEC( 660) = -10 -3 -2 8.9953 16 KVEC( 661) = -7 -5 -10 8.9994 16 KVEC( 662) = -4 -1 -16 9.0010 16 KVEC( 663) = -9 0 -9 9.0016 8 KVEC( 664) = -7 -3 -12 9.0030 16 KVEC( 665) = -2 -1 -17 9.0036 16 KVEC( 666) = -7 0 -13 9.0087 8 KVEC( 667) = -7 -7 -6 9.0238 8 KVEC( 668) = -5 -2 -15 9.0280 16 KVEC( 669) = -3 -3 -16 9.0416 8 KVEC( 670) = -9 -1 -9 9.0422 16 KVEC( 671) = -6 -2 -14 9.0441 16 KVEC( 672) = -7 -1 -13 9.0493 16 KVEC( 673) = -5 -5 -13 9.0493 8 KVEC( 674) = -9 -5 -4 9.0517 16 KVEC( 675) = -8 -2 -11 9.0675 16 KVEC( 676) = -10 -3 -3 9.0695 16 KVEC( 677) = -8 -5 -8 9.0739 16 KVEC( 678) = -5 -4 -14 9.0845 16 KVEC( 679) = -8 -7 0 9.0981 8 KVEC( 680) = -10 -2 -5 9.1037 16 KVEC( 681) = -10 0 -6 9.1046 8 KVEC( 682) = -8 -6 -6 9.1046 16 KVEC( 683) = -8 -7 -1 9.1128 16 KVEC( 684) = -9 -3 -8 9.1142 16 KVEC( 685) = -4 -2 -16 9.1222 16 KVEC( 686) = -6 -5 -12 9.1242 16 KVEC( 687) = -2 -2 -17 9.1249 8 KVEC( 688) = -6 -4 -13 9.1299 16 KVEC( 689) = -10 -1 -6 9.1447 16 KVEC( 690) = -4 -4 -15 9.1489 8 KVEC( 691) = -8 -7 -2 9.1568 16 KVEC( 692) = -9 -2 -9 9.1629 16 KVEC( 693) = -7 -6 -9 9.1629 16 KVEC( 694) = -3 0 -17 9.1649 8 KVEC( 695) = -7 -2 -13 9.1699 16 KVEC( 696) = -10 -3 -4 9.1722 16 KVEC( 697) = -9 -4 -7 9.1749 16 KVEC( 698) = -9 -5 -5 9.1838 16 KVEC( 699) = -3 -1 -17 9.2048 16 KVEC( 700) = -7 -7 -7 9.2147 8 KVEC( 701) = -10 -4 0 9.2180 8 KVEC( 702) = -6 -6 -11 9.2276 8 KVEC( 703) = -5 -3 -15 9.2286 16 KVEC( 704) = -8 -7 -3 9.2296 16 KVEC( 705) = -10 -4 -1 9.2326 16 KVEC( 706) = -8 -4 -10 9.2404 16 KVEC( 707) = -8 0 -12 9.2439 8 KVEC( 708) = -6 -3 -14 9.2444 16 KVEC( 709) = -9 -6 0 9.2577 8 KVEC( 710) = -10 -2 -6 9.2641 16 KVEC( 711) = -8 -3 -11 9.2672 16 KVEC( 712) = -9 -6 -1 9.2721 16 KVEC( 713) = -10 -4 -2 9.2760 16 KVEC( 714) = -9 0 -10 9.2799 8 KVEC( 715) = -8 -1 -12 9.2834 16 KVEC( 716) = -7 -4 -12 9.2834 16 KVEC( 717) = -10 0 -7 9.2939 8 KVEC( 718) = -8 -6 -7 9.2939 16 KVEC( 719) = -10 -3 -5 9.3027 16 KVEC( 720) = -7 -5 -11 9.3067 16 KVEC( 721) = -6 0 -15 9.3077 8 KVEC( 722) = -9 -6 -2 9.3154 16 KVEC( 723) = 0 0 -18 9.3154 2 KVEC( 724) = -9 -1 -10 9.3193 16 KVEC( 725) = -5 0 -16 9.3208 8 KVEC( 726) = -4 -3 -16 9.3208 16 KVEC( 727) = -8 -5 -9 9.3214 16 KVEC( 728) = -3 -2 -17 9.3234 16 KVEC( 729) = -8 -7 -4 9.3306 16 KVEC( 730) = -10 -1 -7 9.3332 16 KVEC( 731) = -9 -5 -6 9.3429 16 KVEC( 732) = -6 -1 -15 9.3469 16 KVEC( 733) = -10 -4 -3 9.3479 16 KVEC( 734) = -1 0 -18 9.3546 8 KVEC( 735) = -5 -1 -16 9.3600 16 KVEC( 736) = -9 -3 -9 9.3606 16 KVEC( 737) = -7 -3 -13 9.3675 16 KVEC( 738) = -9 -6 -3 9.3870 16 KVEC( 739) = -9 -4 -8 9.3913 16 KVEC( 740) = -1 -1 -18 9.3937 8 KVEC( 741) = -8 -2 -12 9.4010 16 KVEC( 742) = -7 0 -14 9.4015 8 KVEC( 743) = -11 0 0 9.4146 4 KVEC( 744) = -11 0 -1 9.4288 8 KVEC( 745) = -7 -7 -8 9.4302 8 KVEC( 746) = -9 -2 -10 9.4365 16 KVEC( 747) = -7 -6 -10 9.4365 16 KVEC( 748) = -7 -1 -14 9.4404 16 KVEC( 749) = -5 -5 -14 9.4404 8 KVEC( 750) = -4 0 -17 9.4405 8 KVEC( 751) = -10 -4 -4 9.4476 16 KVEC( 752) = -10 -2 -7 9.4502 16 KVEC( 753) = -11 -1 0 9.4534 8 KVEC( 754) = -8 -7 -5 9.4589 16 KVEC( 755) = -10 -3 -6 9.4597 16 KVEC( 756) = -6 -2 -15 9.4637 16 KVEC( 757) = -11 -1 -1 9.4676 16 KVEC( 758) = -11 0 -2 9.4713 8 KVEC( 759) = -2 0 -18 9.4714 8 KVEC( 760) = -5 -2 -16 9.4767 16 KVEC( 761) = -4 -1 -17 9.4792 16 KVEC( 762) = -6 -5 -13 9.4840 16 KVEC( 763) = -9 -6 -4 9.4863 16 KVEC( 764) = -5 -4 -15 9.5024 16 KVEC( 765) = -10 0 -8 9.5075 8 KVEC( 766) = -8 -6 -8 9.5075 16 KVEC( 767) = -11 -1 -2 9.5099 16 KVEC( 768) = -2 -1 -18 9.5100 16 KVEC( 769) = -6 -4 -14 9.5177 16 KVEC( 770) = -3 -3 -17 9.5178 8 KVEC( 771) = -9 -5 -7 9.5274 16 KVEC( 772) = -8 -4 -11 9.5399 16 KVEC( 773) = -11 0 -3 9.5418 8 KVEC( 774) = -10 -1 -8 9.5460 16 KVEC( 775) = -6 -6 -12 9.5556 8 KVEC( 776) = -7 -2 -14 9.5561 16 KVEC( 777) = -11 -2 0 9.5690 8 KVEC( 778) = -10 -5 0 9.5690 8 KVEC( 779) = -10 -4 -5 9.5743 16 KVEC( 780) = -9 0 -11 9.5782 8 KVEC( 781) = -11 -1 -3 9.5801 16 KVEC( 782) = -11 -2 -1 9.5829 16 KVEC( 783) = -10 -5 -1 9.5829 16 KVEC( 784) = -8 -5 -10 9.5905 16 KVEC( 785) = -4 -4 -16 9.5919 8 KVEC( 786) = -8 -3 -12 9.5938 16 KVEC( 787) = -4 -2 -17 9.5944 16 KVEC( 788) = -8 0 -13 9.5992 8 KVEC( 789) = -9 -6 -5 9.6125 16 KVEC( 790) = -8 -7 -6 9.6134 16 KVEC( 791) = -9 -1 -11 9.6163 16 KVEC( 792) = -11 -2 -2 9.6248 16 KVEC( 793) = -10 -5 -2 9.6248 16 KVEC( 794) = -2 -2 -18 9.6248 8 KVEC( 795) = -9 -3 -10 9.6286 16 KVEC( 796) = -9 -4 -9 9.6306 16 KVEC( 797) = -7 -5 -12 9.6319 16 KVEC( 798) = -8 -1 -13 9.6373 16 KVEC( 799) = -7 -4 -13 9.6373 16 KVEC( 800) = -11 0 -4 9.6395 8 KVEC( 801) = -10 -3 -7 9.6420 16 KVEC( 802) = -6 -3 -15 9.6553 16 KVEC( 803) = -10 -2 -8 9.6604 16 KVEC( 804) = -3 0 -18 9.6628 8 KVEC( 805) = -5 -3 -16 9.6680 16 KVEC( 806) = -7 -7 -9 9.6686 8 KVEC( 807) = -11 -1 -4 9.6774 16 KVEC( 808) = -8 -8 0 9.6831 4 KVEC( 809) = -11 -2 -3 9.6941 16 KVEC( 810) = -10 -5 -3 9.6941 16 KVEC( 811) = -8 -8 -1 9.6969 8 KVEC( 812) = -3 -1 -18 9.7006 16 KVEC( 813) = -10 -4 -6 9.7270 16 KVEC( 814) = -9 -2 -11 9.7299 16 KVEC( 815) = -7 -6 -11 9.7299 16 KVEC( 816) = -9 -5 -8 9.7359 16 KVEC( 817) = -8 -8 -2 9.7383 8 KVEC( 818) = -6 0 -16 9.7435 8 KVEC( 819) = -10 0 -9 9.7440 8 KVEC( 820) = -8 -6 -9 9.7440 16 KVEC( 821) = -7 -3 -14 9.7458 16 KVEC( 822) = -8 -2 -13 9.7506 16 KVEC( 823) = -11 -3 0 9.7585 8 KVEC( 824) = -9 -7 0 9.7585 8 KVEC( 825) = -11 0 -5 9.7637 8 KVEC( 826) = -9 -6 -6 9.7646 16 KVEC( 827) = -11 -3 -1 9.7722 16 KVEC( 828) = -9 -7 -1 9.7722 16 KVEC( 829) = -6 -1 -16 9.7810 16 KVEC( 830) = -10 -1 -9 9.7816 16 KVEC( 831) = -5 0 -17 9.7834 8 KVEC( 832) = -4 -3 -17 9.7834 16 KVEC( 833) = -11 -2 -4 9.7903 16 KVEC( 834) = -10 -5 -4 9.7903 16 KVEC( 835) = -8 -7 -7 9.7928 16 KVEC( 836) = -11 -1 -5 9.8012 16 KVEC( 837) = -7 0 -15 9.8059 8 KVEC( 838) = -8 -8 -3 9.8068 8 KVEC( 839) = -11 -3 -2 9.8132 16 KVEC( 840) = -9 -7 -2 9.8132 16 KVEC( 841) = -3 -2 -18 9.8132 16 KVEC( 842) = -5 -1 -17 9.8208 16 KVEC( 843) = 0 0 -19 9.8329 2 KVEC( 844) = -7 -1 -15 9.8432 16 KVEC( 845) = -5 -5 -15 9.8432 8 KVEC( 846) = -10 -3 -8 9.8481 16 KVEC( 847) = -8 -4 -12 9.8574 16 KVEC( 848) = -6 -5 -14 9.8579 16 KVEC( 849) = -1 0 -19 9.8701 8 KVEC( 850) = -8 -5 -11 9.8794 16 KVEC( 851) = -11 -3 -3 9.8812 16 KVEC( 852) = -9 -7 -3 9.8812 16 KVEC( 853) = -9 -4 -10 9.8913 16 KVEC( 854) = -6 -2 -16 9.8927 16 KVEC( 855) = -10 -2 -9 9.8932 16 KVEC( 856) = -9 0 -12 9.8945 8 KVEC( 857) = -6 -6 -13 9.8997 8 KVEC( 858) = -8 -8 -4 9.9019 8 KVEC( 859) = -10 -4 -7 9.9043 16 KVEC( 860) = -1 -1 -19 9.9071 8 KVEC( 861) = -11 -2 -5 9.9127 16 KVEC( 862) = -10 -5 -5 9.9127 16 KVEC( 863) = -11 0 -6 9.9135 8 KVEC( 864) = -9 -3 -11 9.9164 16 KVEC( 865) = -6 -4 -15 9.9173 16 KVEC( 866) = -4 0 -18 9.9246 8 KVEC( 867) = -7 -7 -10 9.9282 8 KVEC( 868) = -5 -4 -16 9.9296 16 KVEC( 869) = -9 -1 -12 9.9315 16 KVEC( 870) = -5 -2 -17 9.9321 16 KVEC( 871) = -8 -3 -13 9.9367 16 KVEC( 872) = -9 -6 -7 9.9413 16 KVEC( 873) = -11 -1 -6 9.9503 16 KVEC( 874) = -7 -2 -15 9.9542 16 KVEC( 875) = -4 -1 -18 9.9614 16 KVEC( 876) = -9 -5 -9 9.9670 16 KVEC( 877) = -8 0 -14 9.9687 8 KVEC( 878) = -7 -5 -13 9.9735 16 KVEC( 879) = -11 -3 -4 9.9756 16 KVEC( 880) = -9 -7 -4 9.9756 16 KVEC( 881) = -2 0 -19 9.9808 8 KVEC( 882) = -10 -6 0 9.9811 8 KVEC( 883) = -10 -6 -1 9.9945 16 KVEC( 884) = -8 -7 -8 9.9958 16 KVEC( 885) = -3 -3 -18 9.9981 8 KVEC( 886) = -10 0 -10 10.0018 8 KVEC( 887) = -8 -6 -10 10.0018 16 KVEC( 888) = -8 -1 -14 10.0054 16 KVEC( 889) = -7 -4 -14 10.0054 16 KVEC( 890) = -2 -1 -19 10.0174 16 KVEC( 891) = -11 -4 0 10.0178 8 KVEC( 892) = -8 -8 -5 10.0229 8 KVEC( 893) = -11 -4 -1 10.0311 16 KVEC( 894) = -10 -6 -2 10.0346 16 KVEC( 895) = -10 -1 -10 10.0383 16 KVEC( 896) = -9 -2 -12 10.0415 16 KVEC( 897) = -7 -6 -12 10.0415 16 KVEC( 898) = -4 -4 -17 10.0421 8 KVEC( 899) = -11 -2 -6 10.0602 16 KVEC( 900) = -10 -5 -6 10.0602 16 KVEC( 901) = -11 -4 -2 10.0711 16 KVEC( 902) = -4 -2 -18 10.0711 16 KVEC( 903) = -6 -3 -16 10.0761 16 KVEC( 904) = -10 -3 -9 10.0767 16 KVEC( 905) = -11 0 -7 10.0875 8 KVEC( 906) = -11 -3 -5 10.0957 16 KVEC( 907) = -9 -7 -5 10.0957 16 KVEC( 908) = -10 -6 -3 10.1012 16 KVEC( 909) = -10 -4 -8 10.1051 16 KVEC( 910) = -8 -2 -14 10.1146 16 KVEC( 911) = -5 -3 -17 10.1148 16 KVEC( 912) = -11 -1 -7 10.1238 16 KVEC( 913) = -2 -2 -19 10.1265 8 KVEC( 914) = -7 -3 -15 10.1365 16 KVEC( 915) = -11 -4 -3 10.1373 16 KVEC( 916) = -9 -6 -8 10.1413 16 KVEC( 917) = -10 -2 -10 10.1472 16 KVEC( 918) = -3 0 -19 10.1626 8 KVEC( 919) = -8 -8 -6 10.1688 8 KVEC( 920) = -9 -4 -11 10.1716 16 KVEC( 921) = -8 -5 -12 10.1864 16 KVEC( 922) = -6 0 -17 10.1869 8 KVEC( 923) = -8 -4 -13 10.1914 16 KVEC( 924) = -10 -6 -4 10.1935 16 KVEC( 925) = -3 -1 -19 10.1986 16 KVEC( 926) = -7 -7 -11 10.2076 8 KVEC( 927) = -9 -5 -10 10.2191 16 KVEC( 928) = -7 0 -16 10.2205 8 KVEC( 929) = -8 -7 -9 10.2210 16 KVEC( 930) = -9 -3 -12 10.2222 16 KVEC( 931) = -6 -1 -17 10.2228 16 KVEC( 932) = -9 0 -13 10.2273 8 KVEC( 933) = -11 -4 -4 10.2294 16 KVEC( 934) = -11 -2 -7 10.2318 16 KVEC( 935) = -10 -5 -7 10.2318 16 KVEC( 936) = -11 -3 -6 10.2406 16 KVEC( 937) = -9 -7 -6 10.2406 16 KVEC( 938) = -6 -5 -15 10.2443 16 KVEC( 939) = -5 0 -18 10.2513 8 KVEC( 940) = -4 -3 -18 10.2513 16 KVEC( 941) = -7 -1 -16 10.2562 16 KVEC( 942) = -5 -5 -16 10.2562 8 KVEC( 943) = -6 -6 -14 10.2585 8 KVEC( 944) = -9 -1 -13 10.2630 16 KVEC( 945) = -12 0 0 10.2705 4 KVEC( 946) = -10 0 -11 10.2791 8 KVEC( 947) = -8 -6 -11 10.2791 16 KVEC( 948) = -12 0 -1 10.2835 8 KVEC( 949) = -11 0 -8 10.2848 8 KVEC( 950) = -5 -1 -18 10.2870 16 KVEC( 951) = -8 -3 -14 10.2941 16 KVEC( 952) = -3 -2 -19 10.3058 16 KVEC( 953) = -12 -1 0 10.3061 8 KVEC( 954) = -9 -8 0 10.3061 8 KVEC( 955) = -10 -6 -5 10.3111 16 KVEC( 956) = -10 -1 -11 10.3146 16 KVEC( 957) = -12 -1 -1 10.3191 16 KVEC( 958) = -9 -8 -1 10.3191 16 KVEC( 959) = -11 -1 -8 10.3203 16 KVEC( 960) = -12 0 -2 10.3225 8 KVEC( 961) = -10 -3 -10 10.3261 16 KVEC( 962) = -6 -4 -16 10.3274 16 KVEC( 963) = -10 -4 -9 10.3280 16 KVEC( 964) = -7 -5 -14 10.3296 16 KVEC( 965) = -6 -2 -17 10.3297 16 KVEC( 966) = -8 -8 -7 10.3386 8 KVEC( 967) = -11 -5 0 10.3416 8 KVEC( 968) = -11 -4 -5 10.3465 16 KVEC( 969) = 0 0 -20 10.3505 2 KVEC( 970) = -8 0 -15 10.3510 8 KVEC( 971) = -11 -5 -1 10.3545 16 KVEC( 972) = -12 -1 -2 10.3579 16 KVEC( 973) = -9 -8 -2 10.3579 16 KVEC( 974) = -7 -2 -16 10.3628 16 KVEC( 975) = -9 -6 -9 10.3634 16 KVEC( 976) = -5 -4 -17 10.3651 16 KVEC( 977) = -9 -2 -13 10.3695 16 KVEC( 978) = -7 -6 -13 10.3695 16 KVEC( 979) = -1 0 -20 10.3858 8 KVEC( 980) = -8 -1 -15 10.3863 16 KVEC( 981) = -7 -4 -15 10.3863 16 KVEC( 982) = -12 0 -3 10.3872 8 KVEC( 983) = -11 -5 -2 10.3932 16 KVEC( 984) = -5 -2 -18 10.3933 16 KVEC( 985) = -11 -3 -7 10.4092 16 KVEC( 986) = -9 -7 -7 10.4092 16 KVEC( 987) = -4 0 -19 10.4119 8 KVEC( 988) = -12 -2 0 10.4122 8 KVEC( 989) = -10 -2 -11 10.4206 16 KVEC( 990) = -1 -1 -20 10.4210 8 KVEC( 991) = -12 -1 -3 10.4224 16 KVEC( 992) = -9 -8 -3 10.4224 16 KVEC( 993) = -12 -2 -1 10.4250 16 KVEC( 994) = -11 -2 -8 10.4262 16 KVEC( 995) = -10 -5 -8 10.4262 16 KVEC( 996) = -4 -1 -19 10.4470 16 KVEC( 997) = -10 -7 0 10.4473 8 KVEC( 998) = -10 -6 -6 10.4530 16 KVEC( 999) = -11 -5 -3 10.4575 16 KVEC( 1000) = -10 -7 -1 10.4601 16 KVEC( 1001) = -12 -2 -2 10.4635 16 KVEC( 1002) = -8 -7 -10 10.4670 16 KVEC( 1003) = -9 -4 -12 10.4701 16 KVEC( 1004) = -12 0 -4 10.4770 8 KVEC( 1005) = -3 -3 -19 10.4820 8 KVEC( 1006) = -11 -4 -6 10.4880 16 KVEC( 1007) = -9 -5 -11 10.4907 16 KVEC( 1008) = -2 0 -20 10.4910 8 KVEC( 1009) = -8 -2 -15 10.4916 16 KVEC( 1010) = -10 -7 -2 10.4984 16 KVEC( 1011) = -4 -4 -18 10.4985 8 KVEC( 1012) = -11 0 -9 10.5038 8 KVEC( 1013) = -7 -7 -12 10.5050 8 KVEC( 1014) = -6 -3 -17 10.5055 16 KVEC( 1015) = -8 -5 -13 10.5099 16 KVEC( 1016) = -12 -1 -4 10.5119 16 KVEC( 1017) = -9 -8 -4 10.5119 16 KVEC( 1018) = -2 -1 -20 10.5259 16 KVEC( 1019) = -12 -2 -3 10.5273 16 KVEC( 1020) = -8 -8 -8 10.5311 8 KVEC( 1021) = -7 -3 -16 10.5381 16 KVEC( 1022) = -11 -1 -9 10.5386 16 KVEC( 1023) = -8 -4 -14 10.5402 16 KVEC( 1024) = -9 -3 -13 10.5447 16 KVEC( 1025) = -11 -5 -4 10.5467 16 KVEC( 1026) = -4 -2 -19 10.5516 16 KVEC( 1027) = -10 -7 -3 10.5620 16 KVEC( 1028) = -5 -3 -18 10.5680 16 KVEC( 1029) = -10 -4 -10 10.5714 16 KVEC( 1030) = -10 0 -12 10.5745 8 KVEC( 1031) = -8 -6 -12 10.5745 16 KVEC( 1032) = -9 0 -14 10.5749 8 KVEC( 1033) = -12 -3 0 10.5866 8 KVEC( 1034) = -12 0 -5 10.5914 8 KVEC( 1035) = -10 -3 -11 10.5949 16 KVEC( 1036) = -12 -3 -1 10.5992 16 KVEC( 1037) = -11 -3 -8 10.6004 16 KVEC( 1038) = -9 -7 -8 10.6004 16 KVEC( 1039) = -9 -6 -10 10.6060 16 KVEC( 1040) = -10 -1 -12 10.6091 16 KVEC( 1041) = -9 -1 -14 10.6095 16 KVEC( 1042) = -12 -2 -4 10.6159 16 KVEC( 1043) = -10 -6 -7 10.6182 16 KVEC( 1044) = -12 -1 -5 10.6260 16 KVEC( 1045) = -9 -8 -5 10.6260 16 KVEC( 1046) = -2 -2 -20 10.6298 8 KVEC( 1047) = -6 -6 -15 10.6303 8 KVEC( 1048) = -12 -3 -2 10.6371 16 KVEC( 1049) = -6 0 -18 10.6371 8 KVEC( 1050) = -6 -5 -16 10.6418 16 KVEC( 1051) = -11 -2 -9 10.6423 16 KVEC( 1052) = -10 -5 -9 10.6423 16 KVEC( 1053) = -7 0 -17 10.6441 8 KVEC( 1054) = -10 -7 -4 10.6504 16 KVEC( 1055) = -11 -4 -7 10.6527 16 KVEC( 1056) = -11 -5 -5 10.6604 16 KVEC( 1057) = -3 0 -20 10.6642 8 KVEC( 1058) = -8 -3 -15 10.6647 16 KVEC( 1059) = -6 -1 -18 10.6715 16 KVEC( 1060) = -7 -1 -17 10.6784 16 KVEC( 1061) = -5 -5 -17 10.6784 8 KVEC( 1062) = -3 -1 -20 10.6985 16 KVEC( 1063) = -7 -5 -15 10.6990 16 KVEC( 1064) = -12 -3 -3 10.6998 16 KVEC( 1065) = -10 -2 -12 10.7121 16 KVEC( 1066) = -9 -2 -14 10.7126 16 KVEC( 1067) = -7 -6 -14 10.7126 16 KVEC( 1068) = -5 0 -19 10.7238 8 KVEC( 1069) = -4 -3 -19 10.7238 16 KVEC( 1070) = -11 -6 0 10.7241 8 KVEC( 1071) = -12 -2 -5 10.7289 16 KVEC( 1072) = -12 0 -6 10.7296 8 KVEC( 1073) = -8 -7 -11 10.7323 16 KVEC( 1074) = -11 -6 -1 10.7366 16 KVEC( 1075) = -11 0 -10 10.7433 8 KVEC( 1076) = -8 0 -16 10.7446 8 KVEC( 1077) = -8 -8 -9 10.7451 8 KVEC( 1078) = -6 -4 -17 10.7468 16 KVEC( 1079) = -5 -1 -19 10.7579 16 KVEC( 1080) = -10 -7 -5 10.7630 16 KVEC( 1081) = -12 -1 -6 10.7637 16 KVEC( 1082) = -9 -8 -6 10.7637 16 KVEC( 1083) = -11 -6 -2 10.7739 16 KVEC( 1084) = -6 -2 -18 10.7739 16 KVEC( 1085) = -11 -1 -10 10.7773 16 KVEC( 1086) = -8 -1 -16 10.7786 16 KVEC( 1087) = -7 -4 -16 10.7786 16 KVEC( 1088) = -9 -5 -12 10.7803 16 KVEC( 1089) = -7 -2 -17 10.7808 16 KVEC( 1090) = -9 -4 -13 10.7851 16 KVEC( 1091) = -12 -3 -4 10.7871 16 KVEC( 1092) = -11 -5 -6 10.7977 16 KVEC( 1093) = -3 -2 -20 10.8007 16 KVEC( 1094) = -10 -6 -8 10.8057 16 KVEC( 1095) = -5 -4 -18 10.8079 16 KVEC( 1096) = -11 -3 -9 10.8130 16 KVEC( 1097) = -9 -7 -9 10.8130 16 KVEC( 1098) = -7 -7 -13 10.8190 8 KVEC( 1099) = -12 -4 0 10.8260 8 KVEC( 1100) = -10 -4 -11 10.8342 16 KVEC( 1101) = -11 -6 -3 10.8359 16 KVEC( 1102) = -12 -4 -1 10.8384 16 KVEC( 1103) = -11 -4 -8 10.8396 16 KVEC( 1104) = -8 -5 -14 10.8485 16 KVEC( 1105) = -5 -2 -19 10.8595 16 KVEC( 1106) = -12 -2 -6 10.8653 16 KVEC( 1107) = -9 -6 -11 10.8679 16 KVEC( 1108) = 0 0 -21 10.8680 2 KVEC( 1109) = -12 -4 -2 10.8754 16 KVEC( 1110) = -11 -2 -10 10.8788 16 KVEC( 1111) = -10 -5 -10 10.8788 16 KVEC( 1112) = -8 -2 -16 10.8801 16 KVEC( 1113) = -10 -3 -12 10.8817 16 KVEC( 1114) = -9 -3 -14 10.8822 16 KVEC( 1115) = -10 0 -13 10.8865 8 KVEC( 1116) = -8 -6 -13 10.8865 16 KVEC( 1117) = -12 0 -7 10.8907 8 KVEC( 1118) = -9 -9 0 10.8935 4 KVEC( 1119) = -12 -3 -5 10.8982 16 KVEC( 1120) = -10 -7 -6 10.8990 16 KVEC( 1121) = -1 0 -21 10.9016 8 KVEC( 1122) = -4 0 -20 10.9019 8 KVEC( 1123) = -8 -4 -15 10.9024 16 KVEC( 1124) = -9 -9 -1 10.9058 8 KVEC( 1125) = -10 -1 -13 10.9201 16 KVEC( 1126) = -11 -6 -4 10.9220 16 KVEC( 1127) = -12 -1 -7 10.9242 16 KVEC( 1128) = -9 -8 -7 10.9242 16 KVEC( 1129) = -1 -1 -21 10.9352 8 KVEC( 1130) = -4 -1 -20 10.9355 16 KVEC( 1131) = -9 0 -15 10.9360 8 KVEC( 1132) = -12 -4 -3 10.9368 16 KVEC( 1133) = -9 -9 -2 10.9426 8 KVEC( 1134) = -6 -3 -18 10.9426 16 KVEC( 1135) = -7 -3 -17 10.9494 16 KVEC( 1136) = -11 -5 -7 10.9577 16 KVEC( 1137) = -4 -4 -19 10.9603 8 KVEC( 1138) = -10 -8 0 10.9605 8 KVEC( 1139) = -3 -3 -20 10.9689 8 KVEC( 1140) = -9 -1 -15 10.9694 16 KVEC( 1141) = -10 -8 -1 10.9727 16 KVEC( 1142) = -8 -8 -10 10.9793 8 KVEC( 1143) = -11 0 -11 11.0019 8 KVEC( 1144) = -2 0 -21 11.0020 8 KVEC( 1145) = -9 -9 -3 11.0036 8 KVEC( 1146) = -10 -8 -2 11.0093 16 KVEC( 1147) = -6 -6 -16 11.0139 8 KVEC( 1148) = -10 -6 -9 11.0144 16 KVEC( 1149) = -8 -7 -12 11.0155 16 KVEC( 1150) = -10 -2 -13 11.0202 16 KVEC( 1151) = -12 -4 -4 11.0222 16 KVEC( 1152) = -12 -2 -7 11.0244 16 KVEC( 1153) = -5 -3 -19 11.0269 16 KVEC( 1154) = -11 -6 -5 11.0318 16 KVEC( 1155) = -12 -3 -6 11.0326 16 KVEC( 1156) = -11 -1 -11 11.0352 16 KVEC( 1157) = -2 -1 -21 11.0352 16 KVEC( 1158) = -4 -2 -20 11.0355 16 KVEC( 1159) = -11 -3 -10 11.0458 16 KVEC( 1160) = -9 -7 -10 11.0458 16 KVEC( 1161) = -8 -3 -16 11.0471 16 KVEC( 1162) = -11 -4 -9 11.0476 16 KVEC( 1163) = -6 -5 -17 11.0493 16 KVEC( 1164) = -10 -7 -7 11.0575 16 KVEC( 1165) = -9 -2 -15 11.0691 16 KVEC( 1166) = -7 -6 -15 11.0691 16 KVEC( 1167) = -10 -8 -3 11.0700 16 KVEC( 1168) = -12 0 -8 11.0736 8 KVEC( 1169) = -7 0 -18 11.0757 8 KVEC( 1170) = -7 -5 -16 11.0802 16 KVEC( 1171) = -9 -5 -13 11.0865 16 KVEC( 1172) = -9 -9 -4 11.0884 8 KVEC( 1173) = -6 0 -19 11.0931 8 KVEC( 1174) = -12 -1 -8 11.1066 16 KVEC( 1175) = -9 -8 -8 11.1066 16 KVEC( 1176) = -7 -1 -18 11.1087 16 KVEC( 1177) = -5 -5 -18 11.1087 8 KVEC( 1178) = -10 -4 -12 11.1148 16 KVEC( 1179) = -9 -4 -14 11.1153 16 KVEC( 1180) = -6 -1 -19 11.1261 16 KVEC( 1181) = -13 0 0 11.1264 4 KVEC( 1182) = -12 -5 0 11.1264 8 KVEC( 1183) = -12 -4 -5 11.1310 16 KVEC( 1184) = -11 -2 -11 11.1343 16 KVEC( 1185) = -10 -5 -11 11.1343 16 KVEC( 1186) = -2 -2 -21 11.1343 8 KVEC( 1187) = -13 0 -1 11.1384 8 KVEC( 1188) = -12 -5 -1 11.1384 16 KVEC( 1189) = -11 -5 -8 11.1395 16 KVEC( 1190) = -9 -6 -12 11.1478 16 KVEC( 1191) = -7 -7 -14 11.1482 8 KVEC( 1192) = -8 0 -17 11.1483 8 KVEC( 1193) = -10 -8 -4 11.1543 16 KVEC( 1194) = -13 -1 0 11.1592 8 KVEC( 1195) = -11 -7 0 11.1592 8 KVEC( 1196) = -11 -6 -6 11.1646 16 KVEC( 1197) = -3 0 -21 11.1672 8 KVEC( 1198) = -13 -1 -1 11.1712 16 KVEC( 1199) = -11 -7 -1 11.1712 16 KVEC( 1200) = -13 0 -2 11.1744 8 KVEC( 1201) = -12 -5 -2 11.1744 16 KVEC( 1202) = -6 -4 -18 11.1744 16 KVEC( 1203) = -8 -1 -17 11.1811 16 KVEC( 1204) = -7 -4 -17 11.1811 16 KVEC( 1205) = -10 -3 -13 11.1852 16 KVEC( 1206) = -12 -3 -7 11.1892 16 KVEC( 1207) = -9 -9 -5 11.1966 8 KVEC( 1208) = -3 -1 -21 11.1999 16 KVEC( 1209) = -5 0 -20 11.2002 8 KVEC( 1210) = -4 -3 -20 11.2002 16 KVEC( 1211) = -8 -5 -15 11.2007 16 KVEC( 1212) = -12 -2 -8 11.2051 16 KVEC( 1213) = -13 -1 -2 11.2071 16 KVEC( 1214) = -11 -7 -2 11.2071 16 KVEC( 1215) = -7 -2 -18 11.2072 16 KVEC( 1216) = -10 0 -14 11.2137 8 KVEC( 1217) = -8 -6 -14 11.2137 16 KVEC( 1218) = -6 -2 -19 11.2244 16 KVEC( 1219) = -8 -8 -11 11.2325 8 KVEC( 1220) = -5 -1 -20 11.2329 16 KVEC( 1221) = -9 -3 -15 11.2334 16 KVEC( 1222) = -13 0 -3 11.2342 8 KVEC( 1223) = -12 -5 -3 11.2342 16 KVEC( 1224) = -10 -7 -8 11.2377 16 KVEC( 1225) = -10 -6 -10 11.2430 16 KVEC( 1226) = -10 -1 -14 11.2463 16 KVEC( 1227) = -5 -4 -19 11.2570 16 KVEC( 1228) = -13 -2 0 11.2573 8 KVEC( 1229) = -10 -8 -5 11.2618 16 KVEC( 1230) = -12 -4 -6 11.2626 16 KVEC( 1231) = -13 -1 -3 11.2667 16 KVEC( 1232) = -11 -7 -3 11.2667 16 KVEC( 1233) = -13 -2 -1 11.2692 16 KVEC( 1234) = -11 -4 -10 11.2756 16 KVEC( 1235) = -8 -4 -16 11.2768 16 KVEC( 1236) = -12 0 -9 11.2773 8 KVEC( 1237) = -11 0 -12 11.2784 8 KVEC( 1238) = -8 -2 -17 11.2789 16 KVEC( 1239) = -11 -3 -11 11.2976 16 KVEC( 1240) = -9 -7 -11 11.2976 16 KVEC( 1241) = -3 -2 -21 11.2976 16 KVEC( 1242) = -13 -2 -2 11.3048 16 KVEC( 1243) = -9 0 -16 11.3092 8 KVEC( 1244) = -12 -1 -9 11.3097 16 KVEC( 1245) = -9 -8 -9 11.3097 16 KVEC( 1246) = -11 -1 -12 11.3108 16 KVEC( 1247) = -8 -7 -13 11.3154 16 KVEC( 1248) = -13 0 -4 11.3173 8 KVEC( 1249) = -12 -5 -4 11.3173 16 KVEC( 1250) = -11 -6 -7 11.3194 16 KVEC( 1251) = -9 -9 -6 11.3274 8 KVEC( 1252) = -5 -2 -20 11.3303 16 KVEC( 1253) = -9 -1 -16 11.3416 16 KVEC( 1254) = -11 -5 -9 11.3421 16 KVEC( 1255) = -10 -2 -14 11.3436 16 KVEC( 1256) = -13 -1 -4 11.3496 16 KVEC( 1257) = -11 -7 -4 11.3496 16 KVEC( 1258) = -13 -2 -3 11.3638 16 KVEC( 1259) = -12 -3 -8 11.3674 16 KVEC( 1260) = -7 -3 -18 11.3694 16 KVEC( 1261) = 0 0 -22 11.3855 2 KVEC( 1262) = -6 -3 -19 11.3864 16 KVEC( 1263) = -10 -8 -6 11.3919 16 KVEC( 1264) = -4 0 -21 11.3944 8 KVEC( 1265) = -12 -2 -9 11.4065 16 KVEC( 1266) = -11 -2 -12 11.4076 16 KVEC( 1267) = -10 -5 -12 11.4076 16 KVEC( 1268) = -9 -5 -14 11.4080 16 KVEC( 1269) = -6 -6 -17 11.4081 8 KVEC( 1270) = -10 -4 -13 11.4121 16 KVEC( 1271) = -12 -4 -7 11.4161 16 KVEC( 1272) = -1 0 -22 11.4176 8 KVEC( 1273) = -13 -3 0 11.4188 8 KVEC( 1274) = -13 0 -5 11.4233 8 KVEC( 1275) = -12 -5 -5 11.4233 16 KVEC( 1276) = -4 -1 -21 11.4265 16 KVEC( 1277) = -4 -4 -20 11.4268 8 KVEC( 1278) = -13 -3 -1 11.4305 16 KVEC( 1279) = -9 -2 -16 11.4380 16 KVEC( 1280) = -7 -6 -16 11.4380 16 KVEC( 1281) = -10 -7 -9 11.4385 16 KVEC( 1282) = -8 -3 -17 11.4401 16 KVEC( 1283) = -9 -6 -13 11.4441 16 KVEC( 1284) = -13 -2 -4 11.4460 16 KVEC( 1285) = -1 -1 -22 11.4497 8 KVEC( 1286) = -13 -1 -5 11.4553 16 KVEC( 1287) = -11 -7 -5 11.4553 16 KVEC( 1288) = -3 -3 -21 11.4585 8 KVEC( 1289) = -9 -4 -15 11.4593 16 KVEC( 1290) = -13 -3 -2 11.4656 16 KVEC( 1291) = -6 -5 -18 11.4656 16 KVEC( 1292) = -7 -5 -17 11.4721 16 KVEC( 1293) = -9 -9 -7 11.4801 8 KVEC( 1294) = -12 -6 0 11.4828 8 KVEC( 1295) = -10 -6 -11 11.4904 16 KVEC( 1296) = -5 -3 -20 11.4908 16 KVEC( 1297) = -7 -7 -15 11.4912 8 KVEC( 1298) = -12 -6 -1 11.4944 16 KVEC( 1299) = -11 -6 -8 11.4955 16 KVEC( 1300) = -12 0 -10 11.5007 8 KVEC( 1301) = -8 -8 -12 11.5035 8 KVEC( 1302) = -10 -3 -14 11.5039 16 KVEC( 1303) = -2 0 -22 11.5135 8 KVEC( 1304) = -7 0 -19 11.5143 8 KVEC( 1305) = -10 -9 0 11.5146 8 KVEC( 1306) = -11 -4 -11 11.5223 16 KVEC( 1307) = -4 -2 -21 11.5223 16 KVEC( 1308) = -13 -3 -3 11.5239 16 KVEC( 1309) = -10 -9 -1 11.5262 16 KVEC( 1310) = -12 -6 -2 11.5293 16 KVEC( 1311) = -12 -1 -10 11.5325 16 KVEC( 1312) = -9 -8 -10 11.5325 16 KVEC( 1313) = -10 -8 -7 11.5437 16 KVEC( 1314) = -2 -1 -22 11.5452 16 KVEC( 1315) = -7 -1 -19 11.5461 16 KVEC( 1316) = -5 -5 -19 11.5461 8 KVEC( 1317) = -13 -2 -5 11.5508 16 KVEC( 1318) = -13 0 -6 11.5515 8 KVEC( 1319) = -12 -5 -6 11.5515 16 KVEC( 1320) = -6 0 -20 11.5543 8 KVEC( 1321) = -10 0 -15 11.5548 8 KVEC( 1322) = -8 -6 -15 11.5548 16 KVEC( 1323) = -10 -9 -2 11.5610 16 KVEC( 1324) = -8 0 -18 11.5611 8 KVEC( 1325) = -11 -5 -10 11.5642 16 KVEC( 1326) = -8 -5 -16 11.5654 16 KVEC( 1327) = -12 -3 -9 11.5659 16 KVEC( 1328) = -11 -3 -12 11.5670 16 KVEC( 1329) = -9 -7 -12 11.5670 16 KVEC( 1330) = -11 0 -13 11.5714 8 KVEC( 1331) = -13 -1 -6 11.5832 16 KVEC( 1332) = -11 -7 -6 11.5832 16 KVEC( 1333) = -6 -1 -20 11.5860 16 KVEC( 1334) = -10 -1 -15 11.5865 16 KVEC( 1335) = -12 -6 -3 11.5872 16 KVEC( 1336) = -12 -4 -8 11.5907 16 KVEC( 1337) = -8 -1 -18 11.5927 16 KVEC( 1338) = -7 -4 -18 11.5927 16 KVEC( 1339) = -9 -3 -16 11.5970 16 KVEC( 1340) = -11 -1 -13 11.6030 16 KVEC( 1341) = -13 -3 -4 11.6049 16 KVEC( 1342) = -6 -4 -19 11.6094 16 KVEC( 1343) = -10 -9 -3 11.6188 16 KVEC( 1344) = -12 -2 -10 11.6274 16 KVEC( 1345) = -8 -7 -14 11.6305 16 KVEC( 1346) = -2 -2 -22 11.6400 8 KVEC( 1347) = -7 -2 -19 11.6409 16 KVEC( 1348) = -13 -4 0 11.6411 8 KVEC( 1349) = -11 -8 0 11.6411 8 KVEC( 1350) = -13 -4 -1 11.6526 16 KVEC( 1351) = -11 -8 -1 11.6526 16 KVEC( 1352) = -9 -9 -8 11.6537 8 KVEC( 1353) = -10 -7 -10 11.6588 16 KVEC( 1354) = -8 -4 -17 11.6621 16 KVEC( 1355) = -12 -6 -4 11.6679 16 KVEC( 1356) = -3 0 -22 11.6714 8 KVEC( 1357) = -13 -2 -6 11.6777 16 KVEC( 1358) = -5 0 -21 11.6801 8 KVEC( 1359) = -4 -3 -21 11.6801 16 KVEC( 1360) = -6 -2 -20 11.6804 16 KVEC( 1361) = -10 -2 -15 11.6809 16 KVEC( 1362) = -13 -4 -2 11.6871 16 KVEC( 1363) = -11 -8 -2 11.6871 16 KVEC( 1364) = -8 -2 -18 11.6871 16 KVEC( 1365) = -11 -6 -9 11.6919 16 KVEC( 1366) = -9 0 -17 11.6935 8 KVEC( 1367) = -11 -2 -13 11.6974 16 KVEC( 1368) = -10 -5 -13 11.6974 16 KVEC( 1369) = -10 -9 -4 11.6992 16 KVEC( 1370) = -13 0 -7 11.7013 8 KVEC( 1371) = -12 -5 -7 11.7013 16 KVEC( 1372) = -3 -1 -22 11.7028 16 KVEC( 1373) = -13 -3 -5 11.7083 16 KVEC( 1374) = -5 -1 -21 11.7115 16 KVEC( 1375) = -5 -4 -20 11.7118 16 KVEC( 1376) = -10 -8 -8 11.7164 16 KVEC( 1377) = -10 -4 -14 11.7246 16 KVEC( 1378) = -9 -1 -17 11.7247 16 KVEC( 1379) = -13 -1 -7 11.7325 16 KVEC( 1380) = -11 -7 -7 11.7325 16 KVEC( 1381) = -12 0 -11 11.7427 8 KVEC( 1382) = -9 -5 -15 11.7435 16 KVEC( 1383) = -13 -4 -3 11.7442 16 KVEC( 1384) = -11 -8 -3 11.7442 16 KVEC( 1385) = -10 -6 -12 11.7554 16 KVEC( 1386) = -9 -6 -14 11.7558 16 KVEC( 1387) = -12 -6 -5 11.7707 16 KVEC( 1388) = -12 -1 -11 11.7738 16 KVEC( 1389) = -9 -8 -11 11.7738 16 KVEC( 1390) = -12 -3 -10 11.7838 16 KVEC( 1391) = -12 -4 -9 11.7855 16 KVEC( 1392) = -11 -4 -12 11.7866 16 KVEC( 1393) = -8 -8 -13 11.7909 8 KVEC( 1394) = -3 -2 -22 11.7963 16 KVEC( 1395) = -7 -3 -19 11.7971 16 KVEC( 1396) = -10 -9 -5 11.8018 16 KVEC( 1397) = -11 -5 -11 11.8049 16 KVEC( 1398) = -5 -2 -21 11.8049 16 KVEC( 1399) = -6 -6 -18 11.8118 8 KVEC( 1400) = -9 -4 -16 11.8160 16 KVEC( 1401) = -9 -2 -17 11.8181 16 KVEC( 1402) = -7 -6 -17 11.8181 16 KVEC( 1403) = -13 -4 -4 11.8238 16 KVEC( 1404) = -11 -8 -4 11.8238 16 KVEC( 1405) = -13 -2 -7 11.8258 16 KVEC( 1406) = -13 -3 -6 11.8334 16 KVEC( 1407) = -6 -3 -20 11.8362 16 KVEC( 1408) = -10 -3 -15 11.8367 16 KVEC( 1409) = -8 -3 -18 11.8428 16 KVEC( 1410) = -7 -7 -16 11.8470 8 KVEC( 1411) = -9 -9 -9 11.8475 8 KVEC( 1412) = -11 -3 -13 11.8529 16 KVEC( 1413) = -9 -7 -13 11.8529 16 KVEC( 1414) = -12 -2 -11 11.8668 16 KVEC( 1415) = -13 0 -8 11.8717 8 KVEC( 1416) = -12 -5 -8 11.8717 16 KVEC( 1417) = -7 -5 -18 11.8736 16 KVEC( 1418) = -11 0 -14 11.8798 8 KVEC( 1419) = -4 0 -22 11.8891 8 KVEC( 1420) = -6 -5 -19 11.8899 16 KVEC( 1421) = -12 -7 0 11.8902 8 KVEC( 1422) = -12 -6 -6 11.8952 16 KVEC( 1423) = -10 -7 -11 11.8976 16 KVEC( 1424) = -4 -4 -21 11.8976 8 KVEC( 1425) = -12 -7 -1 11.9014 16 KVEC( 1426) = -13 -1 -8 11.9025 16 KVEC( 1427) = -11 -7 -8 11.9025 16 KVEC( 1428) = 0 0 -23 11.9030 2 KVEC( 1429) = -11 -6 -10 11.9075 16 KVEC( 1430) = -10 0 -16 11.9087 8 KVEC( 1431) = -8 -6 -16 11.9087 16 KVEC( 1432) = -10 -8 -9 11.9091 16 KVEC( 1433) = -11 -1 -14 11.9106 16 KVEC( 1434) = -4 -1 -22 11.9198 16 KVEC( 1435) = -13 -5 0 11.9209 8 KVEC( 1436) = -13 -4 -5 11.9253 16 KVEC( 1437) = -11 -8 -5 11.9253 16 KVEC( 1438) = -10 -9 -6 11.9259 16 KVEC( 1439) = -13 -5 -1 11.9322 16 KVEC( 1440) = -1 0 -23 11.9338 8 KVEC( 1441) = -12 -7 -2 11.9351 16 KVEC( 1442) = -10 -1 -16 11.9394 16 KVEC( 1443) = -8 -5 -17 11.9414 16 KVEC( 1444) = -3 -3 -22 11.9505 8 KVEC( 1445) = -5 -3 -21 11.9590 16 KVEC( 1446) = -7 0 -20 11.9593 8 KVEC( 1447) = -8 -7 -15 11.9598 16 KVEC( 1448) = -1 -1 -23 11.9644 8 KVEC( 1449) = -13 -5 -2 11.9658 16 KVEC( 1450) = -9 -3 -17 11.9720 16 KVEC( 1451) = -13 -3 -7 11.9797 16 KVEC( 1452) = -8 0 -19 11.9820 8 KVEC( 1453) = -14 0 0 11.9822 4 KVEC( 1454) = -7 -1 -20 11.9899 16 KVEC( 1455) = -5 -5 -20 11.9899 8 KVEC( 1456) = -12 -7 -3 11.9911 16 KVEC( 1457) = -14 0 -1 11.9934 8 KVEC( 1458) = -13 -2 -8 11.9945 16 KVEC( 1459) = -12 -4 -10 11.9994 16 SIZE INCLUDING STAR MEMBERS = 19011 time in recpr: 2.000000000000000E-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 0.456506344230727 SUM RULE OF TETRAHEDRON INTEGRATION CHECKED call eweigh... k-pnt spin band energy old/new occ. 1 1 36 0.457867 0.000076/ 0.000038 1 1 36 0.457867 0.000000/ 0.000038 2 1 36 0.458213 0.000136/ 0.000068 2 1 36 0.458213 0.000000/ 0.000068 3 1 36 0.459258 0.000090/ 0.000045 3 1 36 0.459258 0.000000/ 0.000045 4 1 36 0.461026 0.000039/ 0.000020 4 1 36 0.461026 0.000000/ 0.000020 5 1 36 0.463472 0.000033/ 0.000017 5 1 36 0.463472 0.000000/ 0.000017 number of occupied bands: 40 highest energy: 0.472948053485349 Bandranges (emin - emax) and occupancy: band 1 -5.1227989874 -5.1227745839 0.200000D+01 band 2 -5.1227768528 -5.1227638389 0.200000D+01 band 3 -3.4087504076 -3.4051137253 0.200000D+01 band 4 -3.4087243452 -3.4048746707 0.200000D+01 band 5 -3.4048203974 -3.4011173155 0.200000D+01 band 6 -3.4045841045 -3.4010923242 0.200000D+01 band 7 -3.4001763048 -3.3994596552 0.200000D+01 band 8 -3.3994566279 -3.3987667158 0.200000D+01 band 9 -2.6809196091 -2.6807726378 0.200000D+01 band 10 -2.6809187598 -2.6807141750 0.200000D+01 band 11 -2.6807149268 -2.6805532241 0.200000D+01 band 12 -2.6806498935 -2.6805532241 0.200000D+01 band 13 -2.6774644174 -2.6772920090 0.200000D+01 band 14 -2.6772923863 -2.6771680690 0.200000D+01 band 15 -1.3128717554 -1.3123470977 0.200000D+01 band 16 -1.3127118609 -1.3123185854 0.200000D+01 band 17 -1.3123743892 -1.3118070584 0.200000D+01 band 18 -1.3123389397 -1.3117984441 0.200000D+01 band 19 -1.3116672048 -1.3111814486 0.200000D+01 band 20 -1.3116605068 -1.3111438683 0.200000D+01 band 21 -1.3112156265 -1.3109154692 0.200000D+01 band 22 -1.3111535052 -1.3108983068 0.200000D+01 band 23 -1.3104164606 -1.3099086096 0.200000D+01 band 24 -1.3103683208 -1.3098965199 0.200000D+01 band 25 -0.3399025221 -0.1426733584 0.200000D+01 band 26 -0.2647674637 -0.1423927084 0.200000D+01 band 27 0.0462032793 0.1586482628 0.200000D+01 band 28 0.0485197632 0.2111160133 0.200000D+01 band 29 0.1513360457 0.2819245579 0.200000D+01 band 30 0.1977335943 0.2834063951 0.200000D+01 band 31 0.2544511435 0.3187041314 0.200000D+01 band 32 0.2585216644 0.3721175787 0.200000D+01 band 33 0.3022306291 0.3815680159 0.200000D+01 band 34 0.3161979534 0.3945805257 0.200000D+01 band 35 0.3360275470 0.4244697879 0.200000D+01 band 36 0.3421654726 0.4634718436 0.199849D+01 band 37 0.4178053812 0.4710270321 0.190462D+01 band 38 0.4188911676 0.4791681107 0.158151D+01 band 39 0.4461454954 0.5525081570 0.347838D+00 band 40 0.4503893555 0.5648840589 0.167543D+00 band 41 0.4971801253 0.6734602140 0.000000D+00 band 42 0.4977450859 0.6978705678 0.000000D+00 band 43 0.6240887557 0.8156715490 0.000000D+00 band 44 0.6259583449 0.8406434606 0.000000D+00 band 45 0.6550849035 0.9223025477 0.000000D+00 band 46 0.6582561858 0.9274877944 0.000000D+00 band 47 0.8143575225 1.1485946018 0.000000D+00 band 48 0.8189385894 1.1531790519 0.000000D+00 band 49 0.9337411756 1.2032567435 0.000000D+00 band 50 0.9393278607 1.2105391033 0.000000D+00 band 51 0.9904876229 1.4278223392 0.000000D+00 band 52 1.0152714020 1.4420064629 0.000000D+00 band 53 1.0808833512 1.4621859721 0.000000D+00 band 54 1.1156516151 1.4739587844 0.000000D+00 band 55 1.1573870547 1.5362814298 0.000000D+00 band 56 1.1943776543 1.5603043918 0.000000D+00 band 57 1.2441417583 1.6182841469 0.000000D+00 band 58 1.3020544826 1.6190233288 0.000000D+00 band 59 1.3139446420 1.6252905737 0.000000D+00 band 60 1.3312858964 1.6631254501 0.000000D+00 band 61 1.4231757255 1.6964175229 0.000000D+00 band 62 1.5121418568 1.7276953577 0.000000D+00 band 63 1.5461672377 1.7834744219 0.000000D+00 band 64 1.5830184115 1.7867505438 0.000000D+00 band 65 1.6353393905 1.8632577328 0.000000D+00 band 66 1.6506709691 1.9083864138 0.000000D+00 band 67 1.6747807259 1.9479119556 0.000000D+00 band 68 1.7233830500 1.9739166678 0.000000D+00 band 69 1.7331945211 1.9982010741 0.000000D+00 band 70 1.8437596407 1.9993835200 0.000000D+00 band 71 1.8764194448 1.9994860297 0.000000D+00 band 72 1.8840439142 1.9996186994 0.000000D+00 band 73 1.9134254133 1.9998577064 0.000000D+00 band 74 1.9157522240 1.9995589823 0.000000D+00 band 75 1.9954554784 1.9954554784 0.000000D+00 eseper below EF 0.500000000000000 eseper minimum gap 5.000000000000000E-002 Energy to separate semicore and valence states: -3.796720665975875E-003 :NOE : NUMBER OF ELECTRONS = 76.000 :FER : F E R M I - ENERGY(TETRAH.M.)= 0.45651 wmist 75.9999999991972 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 = 0.75000 0.25000 0.50000 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: 0.750 0.250 0.500 1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 EQUIV ATOM 2 POSITION: 0.250 0.750 0.500 0.00000 1.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 ATOMIC PARAMETERS FOR Fe ENERGY PARAMETERS ARE 0.26 0.26 0.39 0.26 0.26 0.26 0.26 ENERGY PARAMETERS ARE 0.26 0.26 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 -0.453388E+00 0.124613E+00 0.128082E+00 0.329270E+00 0.250835E-01 3 3 3 0 -0.453388E+00 0.124613E+00 0.128082E+00 0.329270E+00 0.250835E-01 3 3 3 1 0.546031E+00 0.991888E-01 -0.942586E-01 -0.319764E+00 0.159537E-01 2 2 2 1 0.546031E+00 0.991888E-01 -0.942586E-01 -0.319764E+00 0.159537E-01 2 2 2 2 0.155561E+00 -0.125192E+00 -0.654955E+00 -0.535334E+00 0.984733E+00 0 0 0 2 0.155561E+00 -0.125192E+00 -0.654955E+00 -0.535334E+00 0.984733E+00 0 0 0 3 0.722401E+00 0.719942E+00 -0.597109E-01 -0.288253E+00 0.481650E-02 0 0 0 3 0.722401E+00 0.719942E+00 -0.597109E-01 -0.288253E+00 0.481650E-02 0 0 0 4 0.826250E+00 0.121103E+01 -0.409281E-01 -0.259979E+00 0.180553E-02 0 0 0 4 0.826250E+00 0.121103E+01 -0.409281E-01 -0.259979E+00 0.180553E-02 0 0 0 5 0.910928E+00 0.173561E+01 -0.312442E-01 -0.240926E+00 0.900056E-03 0 0 0 5 0.910928E+00 0.173561E+01 -0.312442E-01 -0.240926E+00 0.900056E-03 0 0 0 6 0.985831E+00 0.229993E+01 -0.250923E-01 -0.226148E+00 0.511412E-03 0 0 0 6 0.985831E+00 0.229993E+01 -0.250923E-01 -0.226148E+00 0.511412E-03 0 0 0 7 0.105425E+01 0.290377E+01 -0.208067E-01 -0.214034E+00 0.315358E-03 0 0 0 7 0.105425E+01 0.290377E+01 -0.208067E-01 -0.214034E+00 0.315358E-03 0 0 0 8 0.111784E+01 0.354572E+01 -0.176507E-01 -0.203791E+00 0.206105E-03 0 0 0 8 0.111784E+01 0.354572E+01 -0.176507E-01 -0.203791E+00 0.206105E-03 0 0 0 LO COEFFICIENT: l,A,B,C 0 0.87227 3.08769 0.00000 1 -0.384603E-01 0.605532E-01 0 1 0 LO COEFFICIENT: l,A,B,C 1 0.80704 4.67509 0.00000 LO COEFFICIENT: l,A,B,C 1 0.06996 0.00000 0.99330 LO COEFFICIENT: l,A,B,C 2 0.97333 0.23118 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: 13.336685 :PCS001: PARTIAL CHARGES SPHERE = 1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ :QTL001: 0.4066 6.4496 6.4497 0.0245 2.1332 4.3163 0.0000 1.3728 1.3463 1.1977 2.5329 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: 0.1135 -0.2621 6.0722 -3.3602 0.0618 -0.2601 0.0048 -0.6076 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: 0.2931 0.1735 0.3774 0.2717 6.3879 0.3612 0.0197 0.3131 EFG INSIDE SPHERE 1: 0.648319 UP TO R = 2.4600000 :POS002: AT.NR. -2 POSITION = 0.25000 0.25000 0.26200 MULTIPLICITY = 2 NOT EQUIV ATOM Ge 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 0.262 1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 EQUIV ATOM 2 POSITION: 0.750 0.750 0.738 0.00000 -1.00000 0.00000 0.00000 -1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -1.00000 0.00000 ATOMIC PARAMETERS FOR Ge ENERGY PARAMETERS ARE 0.26 0.26 -1.33 0.26 0.26 0.26 0.26 ENERGY PARAMETERS ARE 0.26 0.26 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 -0.362259E+00 0.453725E+00 0.181681E+00 0.353315E+00 0.372723E-01 3 3 3 0 -0.362259E+00 0.453725E+00 0.181681E+00 0.353315E+00 0.372723E-01 3 3 3 1 0.541903E+00 -0.129557E+00 -0.127046E+00 -0.357946E+00 0.176968E-01 2 2 2 1 0.541903E+00 -0.129557E+00 -0.127046E+00 -0.357946E+00 0.176968E-01 2 2 2 2 0.863710E-01 -0.101583E+00 -0.105295E+01 -0.119861E+01 0.154366E+01 0 0 0 2 0.863710E-01 -0.101583E+00 -0.105295E+01 -0.119861E+01 0.154366E+01 0 0 0 3 0.843086E+00 0.878323E+00 -0.603490E-01 -0.312457E+00 0.352774E-02 0 0 0 3 0.843086E+00 0.878323E+00 -0.603490E-01 -0.312457E+00 0.352774E-02 0 0 0 4 0.976866E+00 0.156162E+01 -0.400494E-01 -0.279423E+00 0.122567E-02 0 0 0 4 0.976866E+00 0.156162E+01 -0.400494E-01 -0.279423E+00 0.122567E-02 0 0 0 5 0.108252E+01 0.228226E+01 -0.301698E-01 -0.257976E+00 0.592062E-03 0 0 0 5 0.108252E+01 0.228226E+01 -0.301698E-01 -0.257976E+00 0.592062E-03 0 0 0 6 0.117471E+01 0.305331E+01 -0.240514E-01 -0.241625E+00 0.330481E-03 0 0 0 6 0.117471E+01 0.305331E+01 -0.240514E-01 -0.241625E+00 0.330481E-03 0 0 0 7 0.125826E+01 0.387590E+01 -0.198516E-01 -0.228359E+00 0.201497E-03 0 0 0 7 0.125826E+01 0.387590E+01 -0.198516E-01 -0.228359E+00 0.201497E-03 0 0 0 8 0.133555E+01 0.474878E+01 -0.167883E-01 -0.217218E+00 0.130683E-03 0 0 0 8 0.133555E+01 0.474878E+01 -0.167883E-01 -0.217218E+00 0.130683E-03 0 0 0 LO COEFFICIENT: l,A,B,C 0 0.93324 1.86082 0.00000 LO COEFFICIENT: l,A,B,C 1 0.86974 3.70978 0.00000 2 -0.671395E+00 -0.458072E+00 0 1 0 LO COEFFICIENT: l,A,B,C 2 0.99485 0.08161 0.00000 LO COEFFICIENT: l,A,B,C 2 0.95366 0.00000 0.12268 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: 12.089755 :PCS002: PARTIAL CHARGES SPHERE = 2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ :QTL002: 0.9958 1.1026 9.9787 0.0103 0.3767 0.7259 0.0000 1.9981 1.9990 1.9950 3.9866 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: 0.8977 -0.2091 0.0089 -0.3388 9.9191 -1.3114 0.0002 -2.1548 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: 0.0981 0.1987 1.0937 0.2475 0.0596 0.3387 0.0101 0.3735 EFG INSIDE SPHERE 2: -1.927307 UP TO R = 2.1800000 :POS003: AT.NR. -3 POSITION = 0.25000 0.25000 0.83160 MULTIPLICITY = 2 NOT EQUIV ATOM Mg 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 0.832 1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 EQUIV ATOM 2 POSITION: 0.750 0.750 0.168 0.00000 -1.00000 0.00000 0.00000 -1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -1.00000 0.00000 ATOMIC PARAMETERS FOR Mg ENERGY PARAMETERS ARE 0.26 0.26 0.26 0.26 0.26 0.26 0.26 ENERGY PARAMETERS ARE 0.26 0.26 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 0.428758E+00 -0.118456E+00 -0.142430E+00 -0.333825E+00 0.346371E-01 2 2 2 0 0.428758E+00 -0.118456E+00 -0.142430E+00 -0.333825E+00 0.346371E-01 2 2 2 1 -0.512952E+00 -0.744893E-01 0.109147E+00 0.327780E+00 0.237401E-01 1 1 1 1 -0.512952E+00 -0.744893E-01 0.109147E+00 0.327780E+00 0.237401E-01 1 1 1 2 0.591453E+00 0.307870E+00 -0.942347E-01 -0.319575E+00 0.155188E-01 0 0 0 2 0.591453E+00 0.307870E+00 -0.942347E-01 -0.319575E+00 0.155188E-01 0 0 0 3 0.719820E+00 0.738639E+00 -0.555691E-01 -0.279299E+00 0.406846E-02 0 0 0 3 0.719820E+00 0.738639E+00 -0.555691E-01 -0.279299E+00 0.406846E-02 0 0 0 4 0.813412E+00 0.119581E+01 -0.399735E-01 -0.255463E+00 0.175562E-02 0 0 0 4 0.813412E+00 0.119581E+01 -0.399735E-01 -0.255463E+00 0.175562E-02 0 0 0 5 0.893418E+00 0.169351E+01 -0.309635E-01 -0.237771E+00 0.913075E-03 0 0 0 5 0.893418E+00 0.169351E+01 -0.309635E-01 -0.237771E+00 0.913075E-03 0 0 0 6 0.965250E+00 0.223204E+01 -0.250287E-01 -0.223624E+00 0.528762E-03 0 0 0 6 0.965250E+00 0.223204E+01 -0.250287E-01 -0.223624E+00 0.528762E-03 0 0 0 7 0.103130E+01 0.280976E+01 -0.208253E-01 -0.211864E+00 0.329386E-03 0 0 0 7 0.103130E+01 0.280976E+01 -0.208253E-01 -0.211864E+00 0.329386E-03 0 0 0 8 0.109292E+01 0.342476E+01 -0.177019E-01 -0.201846E+00 0.216569E-03 0 0 0 8 0.109292E+01 0.342476E+01 -0.177019E-01 -0.201846E+00 0.216569E-03 0 0 0 0 -0.138743E-01 0.333939E-01 0 1 0 LO COEFFICIENT: l,A,B,C 0 0.87241 2.62623 0.00000 LO COEFFICIENT: l,A,B,C 0 0.03233 0.00000 0.99900 1 0.331055E-01 -0.445175E-01 0 0 0 LO COEFFICIENT: l,A,B,C 1 0.80995 3.80649 0.00000 LO COEFFICIENT: l,A,B,C 1 0.06418 0.00000 0.99450 atom 3 ncomu 0 lmmax 10 LMMAX 10 LM= 0 0 1 0 2 0 3 0 4 0 4 4 5 0 5 4 6 0 6 4 0 TOTAL CHARGE INSIDE SPHERE 3: 8.863461 :PCS003: PARTIAL CHARGES SPHERE = 3 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ :QTL003: 2.3759 6.3681 0.1017 0.0147 2.1434 4.2247 0.0000 0.0255 0.0293 0.0124 0.0345 0.0000 Q-s-low E-s-low Q-p-low E-p-low Q-d-low E-d-low Q-f-low E-f-low :EPL003: 2.0575 -4.9854 6.0373 -2.6613 0.0119 -0.2420 0.0019 -0.3903 Q-s-hi E-s-hi Q-p-hi E-p-hi Q-d-hi E-d-hi Q-f-hi E-f-hi :EPH003: 0.3184 0.1833 0.3307 0.2670 0.0898 0.2937 0.0128 0.3114 EFG INSIDE SPHERE 3: -1.187249 UP TO R = 2.5000000 atpar (cpu,wall): 0.0 0.0 readvec (cpu,wall): 7.6 1.0 readvec, read only (cpu,wall): 5.7 0.8 blocked loop (cpu): 99.4 12.8 reduced (cpu): 12.2 1.5 ilm-tot loop (cpu): 203.5 26.7 ilm-1 loop (cpu): 41.7 ilm-2 loop (cpu): 67.6 ilm-3 loop (cpu): 79.0 write-clm (cpu,wall): 0.2 0.0 write-scf (cpu,wall): 0.0 0.0 write-efg (cpu,wakk): 0.0 0.0 write (cpu,wall): 0.4 0.0 :CHA : TOTAL VALENCE CHARGE INSIDE UNIT CELL = 76.000000 SUM OF EIGENVALUES: -113.182220 max k indices: 4 4 7 n,iff1,iff2,iff3 547 24 24 36 FORCE-CALCULATION: F 1459 FOURIER COEFFICIENTS CALCULATED LARGEST COMPONENTS: 5 5 8 =====>>> CPU TIME SUMMARY TOTAL : 360.9 ... 100. PERCENT PART FERMI : 0.2 ... 0. PERCENT PART CLM : 328.8 ... 91. PERCENT PART FOURIR : 31.9 ... 9. PERCENT =====>>> WALL TIME SUMMARY TOTAL : 74.0 ... 100. PERCENT PART FERMI : 0.3 ... 0. PERCENT PART CLM : 42.9 ... 58. PERCENT PART FOURIR : 30.9 ... 42. PERCENT