Running DMFT2 in mpi 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 = La2CuO4 LATTICE = B LATTICE CONSTANTS ARE = 7.1556370 7.1556370 24.8083250 NUMBER OF ATOMS IN UNITCELL = 4 MODE OF CALCULATION IS = RELA TYPE OF COORDINATES IN DSPLIT= generate new recprlist KXMAX,KYMAX,KZMAX 23 23 23 1400 PLANE WAVES GENERATED (INCLUDING FORBIDDEN H,K,L) nwav1,kn 11111 1400 KVEC( 1) = 0 0 0 0.0000 1 KVEC( 2) = 0 0 -2 0.5065 2 KVEC( 3) = 0 -1 -1 0.9139 8 KVEC( 4) = 0 0 -4 1.0131 2 KVEC( 5) = 0 -1 -3 1.1612 8 KVEC( 6) = 1 -1 0 1.2418 4 KVEC( 7) = 1 -1 -2 1.3411 8 KVEC( 8) = 0 0 -6 1.5196 2 KVEC( 9) = 0 -1 -5 1.5410 8 KVEC( 10) = 1 -1 -4 1.6026 8 KVEC( 11) = 0 -2 0 1.7561 4 KVEC( 12) = 0 -2 -2 1.8277 8 KVEC( 13) = 1 -1 -6 1.9625 8 KVEC( 14) = 0 -1 -7 1.9784 8 KVEC( 15) = 1 -2 -1 1.9797 16 KVEC( 16) = 0 0 -8 2.0262 2 KVEC( 17) = 0 -2 -4 2.0274 8 KVEC( 18) = 1 -2 -3 2.1053 16 KVEC( 19) = 0 -2 -6 2.3223 8 KVEC( 20) = 1 -2 -5 2.3364 16 KVEC( 21) = 1 -1 -8 2.3764 8 KVEC( 22) = 0 -1 -9 2.4427 8 KVEC( 23) = 2 -2 0 2.4836 4 KVEC( 24) = 0 0 -10 2.5327 2 KVEC( 25) = 2 -2 -2 2.5347 8 KVEC( 26) = 1 -2 -7 2.6454 16 KVEC( 27) = 0 -3 -1 2.6464 8 KVEC( 28) = 0 -2 -8 2.6813 8 KVEC( 29) = 2 -2 -4 2.6822 8 KVEC( 30) = 0 -3 -3 2.7416 8 KVEC( 31) = 1 -3 0 2.7767 8 KVEC( 32) = 1 -1 -10 2.8207 8 KVEC( 33) = 1 -3 -2 2.8225 16 KVEC( 34) = 2 -2 -6 2.9116 8 KVEC( 35) = 0 -1 -11 2.9211 8 KVEC( 36) = 0 -3 -5 2.9228 8 KVEC( 37) = 1 -3 -4 2.9558 16 KVEC( 38) = 1 -2 -9 3.0085 16 KVEC( 39) = 0 0 -12 3.0392 2 KVEC( 40) = 0 -2 -10 3.0820 8 KVEC( 41) = 1 -3 -6 3.1653 16 KVEC( 42) = 0 -3 -7 3.1753 8 KVEC( 43) = 2 -3 -1 3.1761 16 KVEC( 44) = 2 -2 -8 3.2052 8 KVEC( 45) = 2 -3 -3 3.2558 16 KVEC( 46) = 1 -1 -12 3.2831 8 KVEC( 47) = 0 -1 -13 3.4076 8 KVEC( 48) = 1 -2 -11 3.4083 16 KVEC( 49) = 2 -3 -5 3.4098 16 KVEC( 50) = 1 -3 -8 3.4374 16 KVEC( 51) = 0 -3 -9 3.4835 8 KVEC( 52) = 0 -2 -12 3.5101 8 KVEC( 53) = 0 -4 0 3.5123 4 KVEC( 54) = 0 0 -14 3.5458 2 KVEC( 55) = 2 -2 -10 3.5472 8 KVEC( 56) = 0 -4 -2 3.5486 8 KVEC( 57) = 2 -3 -7 3.6285 16 KVEC( 58) = 1 -4 -1 3.6292 16 KVEC( 59) = 0 -4 -4 3.6555 8 KVEC( 60) = 1 -4 -3 3.6993 16 KVEC( 61) = 3 -3 0 3.7254 4 KVEC( 62) = 1 -1 -14 3.7569 8 KVEC( 63) = 1 -3 -10 3.7583 16 KVEC( 64) = 3 -3 -2 3.7596 8 KVEC( 65) = 0 -4 -6 3.8269 8 KVEC( 66) = 1 -2 -13 3.8335 16 KVEC( 67) = 0 -3 -11 3.8342 8 KVEC( 68) = 1 -4 -5 3.8355 16 KVEC( 69) = 3 -3 -4 3.8606 8 KVEC( 70) = 0 -1 -15 3.8992 8 KVEC( 71) = 2 -3 -9 3.9012 16 KVEC( 72) = 2 -2 -12 3.9249 8 KVEC( 73) = 2 -4 0 3.9269 8 KVEC( 74) = 0 -2 -14 3.9568 8 KVEC( 75) = 2 -4 -2 3.9594 16 KVEC( 76) = 3 -3 -6 4.0234 8 KVEC( 77) = 1 -4 -7 4.0312 16 KVEC( 78) = 0 0 -16 4.0523 2 KVEC( 79) = 0 -4 -8 4.0548 8 KVEC( 80) = 2 -4 -4 4.0554 16 KVEC( 81) = 1 -3 -12 4.1167 16 KVEC( 82) = 2 -4 -6 4.2106 16 KVEC( 83) = 0 -3 -13 4.2166 8 KVEC( 84) = 2 -3 -11 4.2172 16 KVEC( 85) = 1 -1 -16 4.2383 8 KVEC( 86) = 3 -3 -8 4.2407 8 KVEC( 87) = 1 -2 -15 4.2764 16 KVEC( 88) = 1 -4 -9 4.2782 16 KVEC( 89) = 2 -2 -14 4.3290 8 KVEC( 90) = 0 -4 -10 4.3302 8 KVEC( 91) = 0 -1 -17 4.3942 8 KVEC( 92) = 3 -4 -1 4.3977 16 KVEC( 93) = 0 -5 -1 4.3977 8 KVEC( 94) = 0 -2 -16 4.4165 8 KVEC( 95) = 2 -4 -8 4.4188 16 KVEC( 96) = 3 -4 -3 4.4556 16 KVEC( 97) = 0 -5 -3 4.4556 8 KVEC( 98) = 1 -5 0 4.4773 8 KVEC( 99) = 1 -3 -14 4.5036 16 KVEC( 100) = 3 -3 -10 4.5048 8 KVEC( 101) = 1 -5 -2 4.5059 16 KVEC( 102) = 0 0 -18 4.5588 2 KVEC( 103) = 2 -3 -13 4.5677 16 KVEC( 104) = 1 -4 -11 4.5682 16 KVEC( 105) = 3 -4 -5 4.5694 16 KVEC( 106) = 0 -5 -5 4.5694 8 KVEC( 107) = 1 -5 -4 4.5905 16 KVEC( 108) = 0 -3 -15 4.6230 8 KVEC( 109) = 0 -4 -12 4.6447 8 KVEC( 110) = 2 -4 -10 4.6728 16 KVEC( 111) = 1 -1 -18 4.7249 8 KVEC( 112) = 1 -5 -6 4.7282 16 KVEC( 113) = 1 -2 -17 4.7321 16 KVEC( 114) = 3 -4 -7 4.7348 16 KVEC( 115) = 0 -5 -7 4.7348 8 KVEC( 116) = 2 -5 -1 4.7354 16 KVEC( 117) = 2 -2 -16 4.7528 8 KVEC( 118) = 2 -5 -3 4.7892 16 KVEC( 119) = 3 -3 -12 4.8078 8 KVEC( 120) = 0 -2 -18 4.8854 8 KVEC( 121) = 0 -1 -19 4.8916 8 KVEC( 122) = 1 -4 -13 4.8937 16 KVEC( 123) = 2 -5 -5 4.8952 16 KVEC( 124) = 1 -3 -16 4.9124 16 KVEC( 125) = 1 -5 -8 4.9144 16 KVEC( 126) = 2 -3 -15 4.9453 16 KVEC( 127) = 3 -4 -9 4.9468 16 KVEC( 128) = 0 -5 -9 4.9468 8 KVEC( 129) = 2 -4 -12 4.9656 16 KVEC( 130) = 4 -4 0 4.9671 4 KVEC( 131) = 0 -4 -14 4.9909 8 KVEC( 132) = 4 -4 -2 4.9929 8 KVEC( 133) = 0 -3 -17 5.0475 8 KVEC( 134) = 2 -5 -7 5.0500 16 KVEC( 135) = 0 0 -20 5.0654 2 KVEC( 136) = 4 -4 -4 5.0694 8 KVEC( 137) = 3 -5 0 5.1200 8 KVEC( 138) = 3 -3 -14 5.1430 8 KVEC( 139) = 1 -5 -10 5.1440 16 KVEC( 140) = 3 -5 -2 5.1450 16 KVEC( 141) = 2 -2 -18 5.1915 8 KVEC( 142) = 4 -4 -6 5.1944 8 KVEC( 143) = 1 -2 -19 5.1973 16 KVEC( 144) = 3 -4 -11 5.1997 16 KVEC( 145) = 0 -5 -11 5.1997 8 KVEC( 146) = 1 -1 -20 5.2154 8 KVEC( 147) = 3 -5 -4 5.2193 16 KVEC( 148) = 1 -4 -15 5.2479 16 KVEC( 149) = 2 -5 -9 5.2493 16 KVEC( 150) = 0 -6 0 5.2684 4 KVEC( 151) = 2 -4 -14 5.2908 16 KVEC( 152) = 0 -6 -2 5.2927 8 KVEC( 153) = 1 -3 -18 5.3379 16 KVEC( 154) = 3 -5 -6 5.3408 16 KVEC( 155) = 2 -3 -17 5.3443 16 KVEC( 156) = 1 -6 -1 5.3471 16 KVEC( 157) = 0 -2 -20 5.3612 8 KVEC( 158) = 0 -4 -16 5.3626 8 KVEC( 159) = 4 -4 -8 5.3645 8 KVEC( 160) = 0 -6 -4 5.3650 8 KVEC( 161) = 0 -1 -21 5.3906 8 KVEC( 162) = 1 -6 -3 5.3949 16 KVEC( 163) = 1 -5 -12 5.4114 16 KVEC( 164) = 0 -6 -6 5.4832 8 KVEC( 165) = 0 -3 -19 5.4859 8 KVEC( 166) = 3 -4 -13 5.4878 16 KVEC( 167) = 0 -5 -13 5.4878 8 KVEC( 168) = 2 -5 -11 5.4883 16 KVEC( 169) = 1 -6 -5 5.4892 16 KVEC( 170) = 3 -3 -16 5.5045 8 KVEC( 171) = 3 -5 -8 5.5063 16 KVEC( 172) = 2 -6 0 5.5534 8 KVEC( 173) = 0 0 -22 5.5719 2 KVEC( 174) = 4 -4 -10 5.5756 8 KVEC( 175) = 2 -6 -2 5.5765 16 KVEC( 176) = 1 -4 -17 5.6254 16 KVEC( 177) = 1 -6 -7 5.6277 16 KVEC( 178) = 4 -5 -1 5.6281 16 KVEC( 179) = 2 -2 -20 5.6415 8 KVEC( 180) = 2 -4 -16 5.6428 16 KVEC( 181) = 0 -6 -8 5.6446 8 KVEC( 182) = 2 -6 -4 5.6451 16 KVEC( 183) = 1 -2 -21 5.6695 16 KVEC( 184) = 4 -5 -3 5.6735 16 KVEC( 185) = 1 -1 -22 5.7086 8 KVEC( 186) = 1 -5 -14 5.7113 16 KVEC( 187) = 3 -5 -10 5.7122 16 KVEC( 188) = 0 -4 -18 5.7549 8 KVEC( 189) = 2 -6 -6 5.7576 16 KVEC( 190) = 2 -3 -19 5.7602 16 KVEC( 191) = 2 -5 -13 5.7619 16 KVEC( 192) = 4 -5 -5 5.7633 16 KVEC( 193) = 1 -3 -20 5.7765 16 KVEC( 194) = 3 -4 -15 5.8059 16 KVEC( 195) = 0 -5 -15 5.8059 8 KVEC( 196) = 1 -6 -9 5.8072 16 KVEC( 197) = 4 -4 -12 5.8232 8 KVEC( 198) = 0 -2 -22 5.8421 8 KVEC( 199) = 0 -6 -10 5.8456 8 KVEC( 200) = 3 -3 -18 5.8874 8 KVEC( 201) = 0 -1 -23 5.8910 8 KVEC( 202) = 4 -5 -7 5.8953 16 KVEC( 203) = 3 -6 -1 5.8957 16 KVEC( 204) = 2 -6 -8 5.9115 16 KVEC( 205) = 0 -3 -21 5.9353 8 KVEC( 206) = 3 -6 -3 5.9391 16 KVEC( 207) = 3 -5 -12 5.9541 16 KVEC( 208) = 2 -4 -18 6.0169 16 KVEC( 209) = 1 -4 -19 6.0219 16 KVEC( 210) = 1 -6 -11 6.0240 16 KVEC( 211) = 3 -6 -5 6.0249 16 KVEC( 212) = 1 -5 -16 6.0388 16 KVEC( 213) = 2 -5 -15 6.0657 16 KVEC( 214) = 4 -5 -9 6.0669 16 KVEC( 215) = 0 0 -24 6.0785 2 KVEC( 216) = 0 -6 -12 6.0822 8 KVEC( 217) = 2 -2 -22 6.1004 8 KVEC( 218) = 4 -4 -14 6.1029 8 KVEC( 219) = 2 -6 -10 6.1037 16 KVEC( 220) = 1 -2 -23 6.1472 16 KVEC( 221) = 3 -4 -17 6.1493 16 KVEC( 222) = 0 -5 -17 6.1493 8 KVEC( 223) = 3 -6 -7 6.1513 16 KVEC( 224) = 0 -7 -1 6.1517 8 KVEC( 225) = 0 -4 -20 6.1640 8 KVEC( 226) = 2 -3 -21 6.1896 16 KVEC( 227) = 0 -7 -3 6.1933 8 KVEC( 228) = 1 -1 -24 6.2040 8 KVEC( 229) = 5 -5 0 6.2089 4 KVEC( 230) = 1 -7 0 6.2089 8 KVEC( 231) = 1 -3 -22 6.2255 16 KVEC( 232) = 3 -5 -14 6.2279 16 KVEC( 233) = 5 -5 -2 6.2296 8 KVEC( 234) = 1 -7 -2 6.2296 16 KVEC( 235) = 1 -6 -13 6.2744 16 KVEC( 236) = 4 -5 -11 6.2748 16 KVEC( 237) = 0 -7 -5 6.2756 8 KVEC( 238) = 3 -3 -20 6.2878 8 KVEC( 239) = 5 -5 -4 6.2910 8 KVEC( 240) = 1 -7 -4 6.2910 16 KVEC( 241) = 3 -6 -9 6.3160 16 KVEC( 242) = 0 -2 -24 6.3271 8 KVEC( 243) = 2 -6 -12 6.3307 16 KVEC( 244) = 4 -6 0 6.3319 8 KVEC( 245) = 0 -6 -14 6.3505 8 KVEC( 246) = 4 -6 -2 6.3521 16 KVEC( 247) = 1 -5 -18 6.3898 16 KVEC( 248) = 5 -5 -6 6.3922 8 KVEC( 249) = 1 -7 -6 6.3922 16 KVEC( 250) = 0 -1 -25 6.3923 8 KVEC( 251) = 0 -3 -23 6.3931 8 KVEC( 252) = 2 -5 -17 6.3951 16 KVEC( 253) = 0 -7 -7 6.3971 8 KVEC( 254) = 2 -7 -1 6.3975 16 KVEC( 255) = 2 -4 -20 6.4092 16 KVEC( 256) = 4 -4 -16 6.4104 8 KVEC( 257) = 4 -6 -4 6.4124 16 KVEC( 258) = 1 -4 -21 6.4339 16 KVEC( 259) = 2 -7 -3 6.4375 16 KVEC( 260) = 4 -6 -6 6.5117 16 KVEC( 261) = 3 -4 -19 6.5140 16 KVEC( 262) = 0 -5 -19 6.5140 8 KVEC( 263) = 4 -5 -13 6.5155 16 KVEC( 264) = 3 -6 -11 6.5159 16 KVEC( 265) = 2 -7 -5 6.5167 16 KVEC( 266) = 3 -5 -16 6.5296 16 KVEC( 267) = 5 -5 -8 6.5312 8 KVEC( 268) = 1 -7 -8 6.5312 16 KVEC( 269) = 1 -6 -15 6.5544 16 KVEC( 270) = 0 -7 -9 6.5556 8 KVEC( 271) = 2 -2 -24 6.5663 8 KVEC( 272) = 0 0 -26 6.5850 2 KVEC( 273) = 0 -4 -22 6.5865 8 KVEC( 274) = 2 -6 -14 6.5889 16 KVEC( 275) = 1 -2 -25 6.6292 16 KVEC( 276) = 2 -3 -23 6.6299 16 KVEC( 277) = 2 -7 -7 6.6338 16 KVEC( 278) = 0 -6 -16 6.6466 8 KVEC( 279) = 4 -6 -8 6.6482 16 KVEC( 280) = 1 -3 -24 6.6827 16 KVEC( 281) = 3 -7 0 6.6872 8 KVEC( 282) = 1 -1 -26 6.7011 8 KVEC( 283) = 3 -3 -22 6.7026 8 KVEC( 284) = 5 -5 -10 6.7056 8 KVEC( 285) = 1 -7 -10 6.7056 16 KVEC( 286) = 3 -7 -2 6.7064 16 KVEC( 287) = 4 -4 -18 6.7421 8 KVEC( 288) = 2 -5 -19 6.7465 16 KVEC( 289) = 3 -6 -13 6.7481 16 KVEC( 290) = 0 -7 -11 6.7484 8 KVEC( 291) = 1 -5 -20 6.7605 16 KVEC( 292) = 3 -7 -4 6.7635 16 KVEC( 293) = 4 -5 -15 6.7856 16 KVEC( 294) = 2 -7 -9 6.7867 16 KVEC( 295) = 0 -2 -26 6.8152 8 KVEC( 296) = 2 -4 -22 6.8166 16 KVEC( 297) = 4 -6 -10 6.8196 16 KVEC( 298) = 3 -5 -18 6.8555 16 KVEC( 299) = 3 -7 -6 6.8577 16 KVEC( 300) = 0 -3 -25 6.8578 8 KVEC( 301) = 1 -4 -23 6.8586 16 KVEC( 302) = 1 -6 -17 6.8604 16 KVEC( 303) = 5 -6 -1 6.8627 16 KVEC( 304) = 2 -6 -16 6.8747 16 KVEC( 305) = 0 -1 -27 6.8944 8 KVEC( 306) = 3 -4 -21 6.8966 16 KVEC( 307) = 0 -5 -21 6.8966 8 KVEC( 308) = 5 -6 -3 6.8999 16 KVEC( 309) = 5 -5 -12 6.9129 8 KVEC( 310) = 1 -7 -12 6.9129 16 KVEC( 311) = 0 -6 -18 6.9670 8 KVEC( 312) = 0 -7 -13 6.9728 8 KVEC( 313) = 2 -7 -11 6.9732 16 KVEC( 314) = 5 -6 -5 6.9739 16 KVEC( 315) = 3 -7 -8 6.9874 16 KVEC( 316) = 3 -6 -15 7.0092 16 KVEC( 317) = 0 -4 -24 7.0203 8 KVEC( 318) = 4 -6 -12 7.0235 16 KVEC( 319) = 0 -8 0 7.0246 4 KVEC( 320) = 2 -2 -26 7.0378 8 KVEC( 321) = 0 -8 -2 7.0428 8 KVEC( 322) = 2 -3 -25 7.0791 16 KVEC( 323) = 4 -5 -17 7.0816 16 KVEC( 324) = 5 -6 -7 7.0834 16 KVEC( 325) = 4 -7 -1 7.0838 16 KVEC( 326) = 1 -8 -1 7.0838 16 KVEC( 327) = 0 0 -28 7.0915 2 KVEC( 328) = 4 -4 -20 7.0944 8 KVEC( 329) = 0 -8 -4 7.0973 8 KVEC( 330) = 1 -2 -27 7.1146 16 KVEC( 331) = 2 -5 -21 7.1167 16 KVEC( 332) = 4 -7 -3 7.1199 16 KVEC( 333) = 1 -8 -3 7.1199 16 KVEC( 334) = 3 -3 -24 7.1292 8 KVEC( 335) = 1 -3 -26 7.1465 16 KVEC( 336) = 1 -5 -22 7.1479 16 KVEC( 337) = 5 -5 -14 7.1501 8 KVEC( 338) = 1 -7 -14 7.1501 16 KVEC( 339) = 3 -7 -10 7.1508 16 KVEC( 340) = 2 -6 -18 7.1850 16 KVEC( 341) = 0 -8 -6 7.1871 8 KVEC( 342) = 1 -6 -19 7.1892 16 KVEC( 343) = 2 -7 -13 7.1906 16 KVEC( 344) = 4 -7 -5 7.1916 16 KVEC( 345) = 1 -8 -5 7.1916 16 KVEC( 346) = 1 -1 -28 7.1994 8 KVEC( 347) = 3 -5 -20 7.2023 16 KVEC( 348) = 0 -7 -15 7.2258 8 KVEC( 349) = 5 -6 -9 7.2269 16 KVEC( 350) = 2 -4 -24 7.2366 16 KVEC( 351) = 2 -8 0 7.2408 8 KVEC( 352) = 4 -6 -14 7.2571 16 KVEC( 353) = 2 -8 -2 7.2585 16 KVEC( 354) = 1 -4 -25 7.2937 16 KVEC( 355) = 3 -4 -23 7.2944 16 KVEC( 356) = 0 -5 -23 7.2944 8 KVEC( 357) = 3 -6 -17 7.2961 16 KVEC( 358) = 4 -7 -7 7.2979 16 KVEC( 359) = 1 -8 -7 7.2979 16 KVEC( 360) = 0 -2 -28 7.3057 8 KVEC( 361) = 0 -6 -20 7.3085 8 KVEC( 362) = 0 -8 -8 7.3110 8 KVEC( 363) = 2 -8 -4 7.3113 16 KVEC( 364) = 0 -3 -27 7.3281 8 KVEC( 365) = 3 -7 -12 7.3455 16 KVEC( 366) = 0 -1 -29 7.3971 8 KVEC( 367) = 2 -8 -6 7.3985 16 KVEC( 368) = 4 -5 -19 7.4005 16 KVEC( 369) = 5 -6 -11 7.4023 16 KVEC( 370) = 5 -5 -16 7.4143 8 KVEC( 371) = 1 -7 -16 7.4143 16 KVEC( 372) = 2 -7 -15 7.4362 16 KVEC( 373) = 4 -7 -9 7.4372 16 KVEC( 374) = 1 -8 -9 7.4372 16 KVEC( 375) = 6 -6 0 7.4507 4 KVEC( 376) = 0 -4 -26 7.4631 8 KVEC( 377) = 4 -4 -22 7.4645 8 KVEC( 378) = 0 -8 -10 7.4672 8 KVEC( 379) = 6 -6 -2 7.4679 8 KVEC( 380) = 2 -5 -23 7.5028 16 KVEC( 381) = 0 -7 -17 7.5045 8 KVEC( 382) = 3 -8 -1 7.5065 16 KVEC( 383) = 2 -2 -28 7.5139 8 KVEC( 384) = 2 -6 -20 7.5166 16 KVEC( 385) = 4 -6 -16 7.5176 16 KVEC( 386) = 2 -8 -8 7.5189 16 KVEC( 387) = 6 -6 -4 7.5193 8 KVEC( 388) = 2 -3 -27 7.5356 16 KVEC( 389) = 1 -6 -21 7.5376 16 KVEC( 390) = 3 -8 -3 7.5407 16 KVEC( 391) = 1 -5 -24 7.5494 16 KVEC( 392) = 5 -7 0 7.5535 8 KVEC( 393) = 3 -3 -26 7.5657 8 KVEC( 394) = 3 -5 -22 7.5671 16 KVEC( 395) = 3 -7 -14 7.5691 16 KVEC( 396) = 5 -7 -2 7.5705 16 KVEC( 397) = 0 0 -30 7.5981 2 KVEC( 398) = 1 -2 -29 7.6027 16 KVEC( 399) = 6 -6 -6 7.6041 8 KVEC( 400) = 3 -6 -19 7.6061 16 KVEC( 401) = 5 -6 -13 7.6074 16 KVEC( 402) = 4 -7 -11 7.6077 16 KVEC( 403) = 1 -8 -11 7.6077 16 KVEC( 404) = 3 -8 -5 7.6084 16 KVEC( 405) = 1 -3 -28 7.6158 16 KVEC( 406) = 5 -7 -4 7.6211 16 KVEC( 407) = 0 -8 -12 7.6539 8 KVEC( 408) = 2 -4 -26 7.6670 16 KVEC( 409) = 0 -6 -22 7.6683 8 KVEC( 410) = 2 -8 -10 7.6710 16 KVEC( 411) = 1 -1 -30 7.6989 8 KVEC( 412) = 5 -5 -18 7.7028 8 KVEC( 413) = 1 -7 -18 7.7028 16 KVEC( 414) = 5 -7 -6 7.7048 16 KVEC( 415) = 3 -4 -25 7.7049 16 KVEC( 416) = 0 -5 -25 7.7049 8 KVEC( 417) = 2 -7 -17 7.7073 16 KVEC( 418) = 3 -8 -7 7.7089 16 KVEC( 419) = 6 -6 -8 7.7213 8 KVEC( 420) = 1 -4 -27 7.7375 16 KVEC( 421) = 4 -5 -21 7.7395 16 KVEC( 422) = 0 -2 -30 7.7984 8 KVEC( 423) = 4 -6 -18 7.8023 16 KVEC( 424) = 0 -3 -29 7.8029 8 KVEC( 425) = 0 -7 -19 7.8062 8 KVEC( 426) = 4 -7 -13 7.8075 16 KVEC( 427) = 1 -8 -13 7.8075 16 KVEC( 428) = 3 -7 -16 7.8192 16 KVEC( 429) = 5 -7 -8 7.8205 16 KVEC( 430) = 5 -6 -15 7.8399 16 KVEC( 431) = 3 -8 -9 7.8409 16 KVEC( 432) = 4 -4 -24 7.8499 8 KVEC( 433) = 2 -8 -12 7.8528 16 KVEC( 434) = 4 -8 0 7.8537 8 KVEC( 435) = 2 -6 -22 7.8668 16 KVEC( 436) = 0 -8 -14 7.8688 8 KVEC( 437) = 6 -6 -10 7.8694 8 KVEC( 438) = 4 -8 -2 7.8701 16 KVEC( 439) = 0 -1 -31 7.9003 8 KVEC( 440) = 2 -5 -25 7.9025 16 KVEC( 441) = 1 -6 -23 7.9032 16 KVEC( 442) = 0 -9 -1 7.9067 8 KVEC( 443) = 0 -4 -28 7.9137 8 KVEC( 444) = 4 -8 -4 7.9188 16 KVEC( 445) = 3 -6 -21 7.9362 16 KVEC( 446) = 0 -9 -3 7.9391 8 KVEC( 447) = 3 -5 -24 7.9475 16 KVEC( 448) = 1 -9 0 7.9513 8 KVEC( 449) = 1 -5 -26 7.9630 16 KVEC( 450) = 5 -7 -10 7.9668 16 KVEC( 451) = 1 -9 -2 7.9674 16 KVEC( 452) = 2 -2 -30 7.9937 8 KVEC( 453) = 2 -3 -29 7.9981 16 KVEC( 454) = 4 -8 -6 7.9994 16 KVEC( 455) = 2 -7 -19 8.0013 16 KVEC( 456) = 3 -8 -11 8.0029 16 KVEC( 457) = 0 -9 -5 8.0035 8 KVEC( 458) = 3 -3 -28 8.0105 8 KVEC( 459) = 5 -5 -20 8.0130 8 KVEC( 460) = 1 -7 -20 8.0130 16 KVEC( 461) = 1 -9 -4 8.0156 16 KVEC( 462) = 4 -7 -15 8.0342 16 KVEC( 463) = 1 -8 -15 8.0342 16 KVEC( 464) = 0 -6 -24 8.0439 8 KVEC( 465) = 6 -6 -12 8.0467 8 KVEC( 466) = 2 -8 -14 8.0624 16 KVEC( 467) = 1 -3 -30 8.0896 16 KVEC( 468) = 1 -2 -31 8.0931 16 KVEC( 469) = 3 -7 -18 8.0933 16 KVEC( 470) = 1 -9 -6 8.0952 16 KVEC( 471) = 4 -5 -23 8.0960 16 KVEC( 472) = 5 -6 -17 8.0975 16 KVEC( 473) = 0 -9 -7 8.0991 8 KVEC( 474) = 6 -7 -1 8.0994 16 KVEC( 475) = 2 -9 -1 8.0994 16 KVEC( 476) = 0 0 -32 8.1046 2 KVEC( 477) = 2 -4 -28 8.1062 16 KVEC( 478) = 4 -6 -20 8.1087 16 KVEC( 479) = 0 -8 -16 8.1096 8 KVEC( 480) = 4 -8 -8 8.1109 16 KVEC( 481) = 3 -4 -27 8.1263 16 KVEC( 482) = 0 -5 -27 8.1263 8 KVEC( 483) = 0 -7 -21 8.1282 8 KVEC( 484) = 6 -7 -3 8.1310 16 KVEC( 485) = 2 -9 -3 8.1310 16 KVEC( 486) = 5 -7 -12 8.1420 16 KVEC( 487) = 1 -4 -29 8.1886 16 KVEC( 488) = 3 -8 -13 8.1930 16 KVEC( 489) = 6 -7 -5 8.1939 16 KVEC( 490) = 2 -9 -5 8.1939 16 KVEC( 491) = 1 -1 -32 8.1992 8 KVEC( 492) = 1 -9 -8 8.2054 16 KVEC( 493) = 0 -9 -9 8.2248 8 KVEC( 494) = 2 -6 -24 8.2334 16 KVEC( 495) = 4 -4 -26 8.2483 8 KVEC( 496) = 6 -6 -14 8.2514 8 KVEC( 497) = 4 -8 -10 8.2520 16 KVEC( 498) = 0 -3 -31 8.2815 8 KVEC( 499) = 1 -6 -25 8.2836 16 KVEC( 500) = 3 -6 -23 8.2842 16 KVEC( 501) = 4 -7 -17 8.2858 16 KVEC( 502) = 1 -8 -17 8.2858 16 KVEC( 503) = 6 -7 -7 8.2873 16 KVEC( 504) = 2 -9 -7 8.2873 16 KVEC( 505) = 5 -8 -1 8.2876 16 KVEC( 506) = 0 -2 -32 8.2927 8 KVEC( 507) = 2 -8 -16 8.2976 16 KVEC( 508) = 2 -5 -27 8.3139 16 KVEC( 509) = 2 -7 -21 8.3158 16 KVEC( 510) = 5 -8 -3 8.3185 16 KVEC( 511) = 3 -9 0 8.3302 8 KVEC( 512) = 3 -5 -26 8.3413 16 KVEC( 513) = 5 -5 -22 8.3425 8 KVEC( 514) = 1 -7 -22 8.3425 16 KVEC( 515) = 5 -7 -14 8.3443 16 KVEC( 516) = 1 -9 -10 8.3449 16 KVEC( 517) = 3 -9 -2 8.3455 16 KVEC( 518) = 0 -4 -30 8.3706 8 KVEC( 519) = 0 -8 -18 8.3743 8 KVEC( 520) = 5 -6 -19 8.3779 16 KVEC( 521) = 0 -9 -11 8.3794 8 KVEC( 522) = 5 -8 -5 8.3800 16 KVEC( 523) = 1 -5 -28 8.3867 16 KVEC( 524) = 3 -7 -20 8.3891 16 KVEC( 525) = 3 -9 -4 8.3915 16 KVEC( 526) = 0 -1 -33 8.4039 8 KVEC( 527) = 3 -8 -15 8.4093 16 KVEC( 528) = 6 -7 -9 8.4102 16 KVEC( 529) = 2 -9 -9 8.4102 16 KVEC( 530) = 4 -8 -12 8.4213 16 KVEC( 531) = 0 -6 -26 8.4332 8 KVEC( 532) = 4 -6 -22 8.4344 16 KVEC( 533) = 3 -3 -30 8.4622 8 KVEC( 534) = 2 -3 -31 8.4656 16 KVEC( 535) = 3 -9 -6 8.4676 16 KVEC( 536) = 4 -5 -25 8.4677 16 KVEC( 537) = 0 -7 -23 8.4683 8 KVEC( 538) = 5 -8 -7 8.4713 16 KVEC( 539) = 2 -2 -32 8.4766 8 KVEC( 540) = 6 -6 -16 8.4814 8 KVEC( 541) = 1 -9 -12 8.5124 16 KVEC( 542) = 2 -4 -30 8.5528 16 KVEC( 543) = 2 -8 -18 8.5564 16 KVEC( 544) = 3 -4 -29 8.5570 16 KVEC( 545) = 0 -5 -29 8.5570 8 KVEC( 546) = 4 -7 -19 8.5599 16 KVEC( 547) = 1 -8 -19 8.5599 16 KVEC( 548) = 0 -9 -13 8.5611 8 KVEC( 549) = 6 -7 -11 8.5614 16 KVEC( 550) = 2 -9 -11 8.5614 16 KVEC( 551) = 1 -3 -32 8.5671 16 KVEC( 552) = 5 -7 -16 8.5718 16 KVEC( 553) = 3 -9 -8 8.5730 16 KVEC( 554) = 1 -2 -33 8.5854 16 KVEC( 555) = 5 -8 -9 8.5916 16 KVEC( 556) = 0 0 -34 8.6112 2 KVEC( 557) = 2 -6 -26 8.6141 16 KVEC( 558) = 4 -8 -14 8.6171 16 KVEC( 559) = 1 -4 -31 8.6459 16 KVEC( 560) = 3 -6 -25 8.6479 16 KVEC( 561) = 2 -7 -23 8.6485 16 KVEC( 562) = 3 -8 -17 8.6500 16 KVEC( 563) = 4 -9 -1 8.6517 16 KVEC( 564) = 4 -4 -28 8.6581 8 KVEC( 565) = 0 -8 -20 8.6604 8 KVEC( 566) = 1 -6 -27 8.6770 16 KVEC( 567) = 5 -6 -21 8.6787 16 KVEC( 568) = 4 -9 -3 8.6813 16 KVEC( 569) = 5 -5 -24 8.6890 8 KVEC( 570) = 1 -7 -24 8.6890 16 KVEC( 571) = 7 -7 0 8.6925 4 KVEC( 572) = 1 -1 -34 8.7002 8 KVEC( 573) = 3 -7 -22 8.7043 16 KVEC( 574) = 1 -9 -14 8.7061 16 KVEC( 575) = 3 -9 -10 8.7067 16 KVEC( 576) = 7 -7 -2 8.7072 8 KVEC( 577) = 6 -6 -18 8.7348 8 KVEC( 578) = 2 -5 -29 8.7353 16 KVEC( 579) = 6 -7 -13 8.7394 16 KVEC( 580) = 2 -9 -13 8.7394 16 KVEC( 581) = 5 -8 -11 8.7397 16 KVEC( 582) = 4 -9 -5 8.7403 16 KVEC( 583) = 3 -5 -28 8.7467 16 KVEC( 584) = 7 -7 -4 8.7513 8 KVEC( 585) = 0 -3 -33 8.7632 8 KVEC( 586) = 0 -9 -15 8.7684 8 KVEC( 587) = 4 -6 -24 8.7773 16 KVEC( 588) = 6 -8 0 8.7807 8 KVEC( 589) = 0 -10 0 8.7807 4 KVEC( 590) = 0 -2 -34 8.7884 8 KVEC( 591) = 6 -8 -2 8.7953 16 KVEC( 592) = 0 -10 -2 8.7953 8 KVEC( 593) = 1 -5 -30 8.8191 16 KVEC( 594) = 5 -7 -18 8.8226 16 KVEC( 595) = 7 -7 -6 8.8243 8 KVEC( 596) = 0 -7 -25 8.8244 8 KVEC( 597) = 4 -9 -7 8.8279 16 KVEC( 598) = 1 -10 -1 8.8282 16 KVEC( 599) = 0 -4 -32 8.8330 8 KVEC( 600) = 0 -6 -28 8.8344 8 KVEC( 601) = 2 -8 -20 8.8367 16 KVEC( 602) = 4 -8 -16 8.8376 16 KVEC( 603) = 6 -8 -4 8.8390 16 KVEC( 604) = 0 -10 -4 8.8390 8 KVEC( 605) = 4 -5 -27 8.8529 16 KVEC( 606) = 4 -7 -21 8.8546 16 KVEC( 607) = 1 -8 -21 8.8546 16 KVEC( 608) = 1 -10 -3 8.8572 16 KVEC( 609) = 3 -9 -12 8.8673 16 KVEC( 610) = 0 -1 -35 8.9078 8 KVEC( 611) = 6 -8 -6 8.9113 16 KVEC( 612) = 0 -10 -6 8.9113 8 KVEC( 613) = 3 -8 -19 8.9129 16 KVEC( 614) = 5 -8 -13 8.9141 16 KVEC( 615) = 1 -10 -5 8.9149 16 KVEC( 616) = 3 -3 -32 8.9198 8 KVEC( 617) = 1 -9 -16 8.9244 16 KVEC( 618) = 7 -7 -8 8.9255 8 KVEC( 619) = 2 -3 -33 8.9374 16 KVEC( 620) = 6 -7 -15 8.9425 16 KVEC( 621) = 2 -9 -15 8.9425 16 KVEC( 622) = 4 -9 -9 8.9434 16 KVEC( 623) = 2 -10 0 8.9546 8 KVEC( 624) = 2 -2 -34 8.9621 8 KVEC( 625) = 0 -8 -22 8.9661 8 KVEC( 626) = 2 -10 -2 8.9690 16 KVEC( 627) = 3 -4 -31 8.9955 16 KVEC( 628) = 0 -5 -31 8.9955 8 KVEC( 629) = 2 -7 -25 8.9975 16 KVEC( 630) = 5 -6 -23 8.9980 16 KVEC( 631) = 0 -9 -17 8.9995 8 KVEC( 632) = 1 -10 -7 9.0009 16 KVEC( 633) = 2 -4 -32 9.0058 16 KVEC( 634) = 2 -6 -28 9.0072 16 KVEC( 635) = 6 -6 -20 9.0095 8 KVEC( 636) = 6 -8 -8 9.0115 16 KVEC( 637) = 0 -10 -8 9.0115 8 KVEC( 638) = 2 -10 -4 9.0118 16 KVEC( 639) = 3 -6 -27 9.0254 16 KVEC( 640) = 3 -7 -24 9.0370 16 KVEC( 641) = 5 -9 0 9.0403 8 KVEC( 642) = 1 -3 -34 9.0478 16 KVEC( 643) = 5 -5 -26 9.0506 8 KVEC( 644) = 1 -7 -26 9.0506 16 KVEC( 645) = 3 -9 -14 9.0534 16 KVEC( 646) = 7 -7 -10 9.0540 8 KVEC( 647) = 5 -9 -2 9.0545 16 KVEC( 648) = 4 -4 -30 9.0776 8 KVEC( 649) = 1 -2 -35 9.0793 16 KVEC( 650) = 4 -8 -18 9.0810 16 KVEC( 651) = 1 -6 -29 9.0815 16 KVEC( 652) = 2 -10 -6 9.0827 16 KVEC( 653) = 4 -9 -11 9.0857 16 KVEC( 654) = 5 -7 -20 9.0947 16 KVEC( 655) = 5 -9 -4 9.0969 16 KVEC( 656) = 1 -4 -33 9.1083 16 KVEC( 657) = 5 -8 -15 9.1133 16 KVEC( 658) = 1 -10 -9 9.1142 16 KVEC( 659) = 0 0 -36 9.1177 2 KVEC( 660) = 4 -6 -26 9.1354 16 KVEC( 661) = 2 -8 -22 9.1365 16 KVEC( 662) = 6 -8 -10 9.1387 16 KVEC( 663) = 0 -10 -10 9.1387 8 KVEC( 664) = 3 -5 -30 9.1622 16 KVEC( 665) = 2 -5 -31 9.1653 16 KVEC( 666) = 1 -9 -18 9.1655 16 KVEC( 667) = 5 -9 -6 9.1672 16 KVEC( 668) = 4 -7 -23 9.1678 16 KVEC( 669) = 1 -8 -23 9.1678 16 KVEC( 670) = 6 -7 -17 9.1692 16 KVEC( 671) = 2 -9 -17 9.1692 16 KVEC( 672) = 3 -10 -1 9.1709 16 KVEC( 673) = 2 -10 -8 9.1810 16 KVEC( 674) = 0 -7 -27 9.1947 8 KVEC( 675) = 3 -8 -21 9.1963 16 KVEC( 676) = 3 -10 -3 9.1988 16 KVEC( 677) = 1 -1 -36 9.2019 8 KVEC( 678) = 7 -7 -12 9.2085 8 KVEC( 679) = 0 -6 -30 9.2459 8 KVEC( 680) = 0 -3 -35 9.2475 8 KVEC( 681) = 4 -5 -29 9.2497 16 KVEC( 682) = 0 -9 -19 9.2525 8 KVEC( 683) = 4 -9 -13 9.2536 16 KVEC( 684) = 1 -10 -11 9.2539 16 KVEC( 685) = 3 -10 -5 9.2544 16 KVEC( 686) = 1 -5 -32 9.2591 16 KVEC( 687) = 3 -9 -16 9.2635 16 KVEC( 688) = 5 -9 -8 9.2646 16 KVEC( 689) = 0 -2 -36 9.2853 8 KVEC( 690) = 0 -8 -24 9.2894 8 KVEC( 691) = 6 -8 -12 9.2919 16 KVEC( 692) = 0 -10 -12 9.2919 8 KVEC( 693) = 0 -4 -34 9.2999 8 KVEC( 694) = 6 -6 -22 9.3037 8 KVEC( 695) = 2 -10 -10 9.3059 16 KVEC( 696) = 5 -6 -25 9.3340 16 KVEC( 697) = 5 -8 -17 9.3359 16 KVEC( 698) = 3 -10 -7 9.3372 16 KVEC( 699) = 7 -8 -1 9.3375 16 KVEC( 700) = 4 -8 -20 9.3456 16 KVEC( 701) = 2 -7 -27 9.3609 16 KVEC( 702) = 7 -8 -3 9.3649 16 KVEC( 703) = 3 -3 -34 9.3824 8 KVEC( 704) = 3 -7 -26 9.3852 16 KVEC( 705) = 5 -7 -22 9.3862 16 KVEC( 706) = 7 -7 -14 9.3879 8 KVEC( 707) = 5 -9 -10 9.3884 16 KVEC( 708) = 2 -6 -30 9.4112 16 KVEC( 709) = 0 -1 -37 9.4120 8 KVEC( 710) = 2 -3 -35 9.4128 16 KVEC( 711) = 3 -6 -29 9.4150 16 KVEC( 712) = 6 -7 -19 9.4177 16 KVEC( 713) = 2 -9 -19 9.4177 16 KVEC( 714) = 1 -10 -13 9.4188 16 KVEC( 715) = 7 -8 -5 9.4196 16 KVEC( 716) = 5 -5 -28 9.4255 8 KVEC( 717) = 1 -7 -28 9.4255 16 KVEC( 718) = 1 -9 -20 9.4277 16 KVEC( 719) = 3 -4 -33 9.4408 16 KVEC( 720) = 0 -5 -33 9.4408 8 KVEC( 721) = 4 -9 -15 9.4457 16 KVEC( 722) = 3 -10 -9 9.4465 16 KVEC( 723) = 2 -2 -36 9.4499 8 KVEC( 724) = 2 -8 -24 9.4539 16 KVEC( 725) = 2 -10 -12 9.4563 16 KVEC( 726) = 4 -10 0 9.4572 8 KVEC( 727) = 2 -4 -34 9.4643 16 KVEC( 728) = 6 -8 -14 9.4696 16 KVEC( 729) = 0 -10 -14 9.4696 8 KVEC( 730) = 4 -10 -2 9.4707 16 KVEC( 731) = 1 -6 -31 9.4959 16 KVEC( 732) = 3 -9 -18 9.4960 16 KVEC( 733) = 4 -7 -25 9.4977 16 KVEC( 734) = 1 -8 -25 9.4977 16 KVEC( 735) = 3 -8 -23 9.4983 16 KVEC( 736) = 7 -8 -7 9.5009 16 KVEC( 737) = 6 -9 -1 9.5012 16 KVEC( 738) = 4 -4 -32 9.5056 8 KVEC( 739) = 4 -6 -28 9.5070 16 KVEC( 740) = 4 -10 -4 9.5113 16 KVEC( 741) = 0 -9 -21 9.5258 8 KVEC( 742) = 6 -9 -3 9.5282 16 KVEC( 743) = 1 -3 -36 9.5311 16 KVEC( 744) = 5 -9 -12 9.5375 16 KVEC( 745) = 1 -2 -37 9.5744 16 KVEC( 746) = 1 -4 -35 9.5752 16 KVEC( 747) = 0 -7 -29 9.5774 8 KVEC( 748) = 4 -10 -6 9.5785 16 KVEC( 749) = 5 -8 -19 9.5800 16 KVEC( 750) = 3 -10 -11 9.5814 16 KVEC( 751) = 6 -9 -5 9.5819 16 KVEC( 752) = 3 -5 -32 9.5864 16 KVEC( 753) = 7 -7 -16 9.5907 8 KVEC( 754) = 2 -5 -33 9.6028 16 KVEC( 755) = 1 -10 -15 9.6076 16 KVEC( 756) = 7 -8 -9 9.6084 16 KVEC( 757) = 6 -6 -24 9.6157 8 KVEC( 758) = 0 0 -38 9.6242 2 KVEC( 759) = 0 -8 -26 9.6285 8 KVEC( 760) = 4 -8 -22 9.6295 16 KVEC( 761) = 2 -10 -14 9.6311 16 KVEC( 762) = 4 -5 -31 9.6569 16 KVEC( 763) = 4 -9 -17 9.6606 16 KVEC( 764) = 6 -9 -7 9.6619 16 KVEC( 765) = 0 -11 -1 9.6621 8 KVEC( 766) = 0 -6 -32 9.6665 8 KVEC( 767) = 6 -8 -16 9.6707 16 KVEC( 768) = 0 -10 -16 9.6707 8 KVEC( 769) = 4 -10 -8 9.6718 16 KVEC( 770) = 5 -6 -27 9.6847 16 KVEC( 771) = 6 -7 -21 9.6863 16 KVEC( 772) = 2 -9 -21 9.6863 16 KVEC( 773) = 0 -11 -3 9.6887 8 KVEC( 774) = 5 -7 -24 9.6955 16 KVEC( 775) = 1 -11 0 9.6987 8 KVEC( 776) = 1 -1 -38 9.7040 8 KVEC( 777) = 1 -5 -34 9.7056 16 KVEC( 778) = 1 -9 -22 9.7093 16 KVEC( 779) = 5 -9 -14 9.7108 16 KVEC( 780) = 1 -11 -2 9.7119 16 KVEC( 781) = 0 -3 -37 9.7342 8 KVEC( 782) = 2 -7 -29 9.7370 16 KVEC( 783) = 3 -10 -13 9.7407 16 KVEC( 784) = 7 -8 -11 9.7410 16 KVEC( 785) = 0 -11 -5 9.7415 8 KVEC( 786) = 3 -7 -28 9.7472 16 KVEC( 787) = 3 -9 -20 9.7493 16 KVEC( 788) = 1 -11 -4 9.7514 16 KVEC( 789) = 6 -9 -9 9.7675 16 KVEC( 790) = 0 -4 -36 9.7708 8 KVEC( 791) = 0 -2 -38 9.7831 8 KVEC( 792) = 2 -8 -26 9.7873 16 KVEC( 793) = 4 -10 -10 9.7904 16 KVEC( 794) = 5 -5 -30 9.8123 8 KVEC( 795) = 1 -7 -30 9.8123 16 KVEC( 796) = 3 -6 -31 9.8153 16 KVEC( 797) = 7 -7 -18 9.8154 8 KVEC( 798) = 1 -11 -6 9.8170 16 KVEC( 799) = 3 -8 -25 9.8171 16 KVEC( 800) = 0 -9 -23 9.8176 8 KVEC( 801) = 1 -10 -17 9.8189 16 KVEC( 802) = 0 -11 -7 9.8202 8 KVEC( 803) = 5 -10 -1 9.8204 16 KVEC( 804) = 2 -11 -1 9.8204 16 KVEC( 805) = 2 -6 -32 9.8247 16 KVEC( 806) = 2 -10 -16 9.8289 16 KVEC( 807) = 4 -7 -27 9.8427 16 KVEC( 808) = 1 -8 -27 9.8427 16 KVEC( 809) = 5 -8 -21 9.8442 16 KVEC( 810) = 5 -10 -3 9.8465 16 KVEC( 811) = 2 -11 -3 9.8465 16 KVEC( 812) = 3 -3 -36 9.8494 8 KVEC( 813) = 4 -6 -30 9.8906 16 KVEC( 814) = 2 -3 -37 9.8913 16 KVEC( 815) = 3 -4 -35 9.8921 16 KVEC( 816) = 0 -5 -35 9.8921 8 KVEC( 817) = 6 -8 -18 9.8937 16 KVEC( 818) = 0 -10 -18 9.8937 8 KVEC( 819) = 4 -9 -19 9.8967 16 KVEC( 820) = 7 -8 -13 9.8977 16 KVEC( 821) = 6 -9 -11 9.8980 16 KVEC( 822) = 5 -10 -5 9.8985 16 KVEC( 823) = 2 -11 -5 9.8985 16 KVEC( 824) = 5 -9 -16 9.9070 16 KVEC( 825) = 1 -11 -8 9.9080 16 KVEC( 826) = 0 -1 -39 9.9165 8 KVEC( 827) = 1 -6 -33 9.9188 16 KVEC( 828) = 3 -10 -15 9.9234 16 KVEC( 829) = 0 -11 -9 9.9241 8 KVEC( 830) = 2 -4 -36 9.9274 16 KVEC( 831) = 4 -8 -24 9.9312 16 KVEC( 832) = 4 -10 -12 9.9335 16 KVEC( 833) = 8 -8 0 9.9343 4 KVEC( 834) = 2 -2 -38 9.9395 8 KVEC( 835) = 4 -4 -34 9.9410 8 KVEC( 836) = 6 -6 -26 9.9436 8 KVEC( 837) = 8 -8 -2 9.9472 8 KVEC( 838) = 0 -7 -31 9.9711 8 KVEC( 839) = 6 -7 -23 9.9734 16 KVEC( 840) = 2 -9 -23 9.9734 16 KVEC( 841) = 5 -10 -7 9.9760 16 KVEC( 842) = 2 -11 -7 9.9760 16 KVEC( 843) = 0 -8 -28 9.9817 8 KVEC( 844) = 8 -8 -4 9.9858 8 KVEC( 845) = 1 -9 -24 10.0085 16 KVEC( 846) = 7 -9 0 10.0116 8 KVEC( 847) = 3 -11 0 10.0116 8 KVEC( 848) = 1 -3 -38 10.0168 16 KVEC( 849) = 3 -5 -34 10.0183 16 KVEC( 850) = 5 -7 -26 10.0208 16 KVEC( 851) = 3 -9 -22 10.0219 16 KVEC( 852) = 1 -11 -10 10.0239 16 KVEC( 853) = 7 -9 -2 10.0244 16 KVEC( 854) = 3 -11 -2 10.0244 16 KVEC( 855) = 1 -4 -37 10.0460 16 KVEC( 856) = 2 -5 -35 10.0468 16 KVEC( 857) = 2 -10 -18 10.0483 16 KVEC( 858) = 5 -6 -29 10.0488 16 KVEC( 859) = 8 -8 -6 10.0498 8 KVEC( 860) = 1 -10 -19 10.0513 16 KVEC( 861) = 6 -9 -13 10.0523 16 KVEC( 862) = 0 -11 -11 10.0526 8 KVEC( 863) = 7 -7 -20 10.0607 8 KVEC( 864) = 7 -9 -4 10.0627 16 KVEC( 865) = 3 -11 -4 10.0627 16 KVEC( 866) = 1 -2 -39 10.0708 16 KVEC( 867) = 4 -5 -33 10.0730 16 KVEC( 868) = 7 -8 -15 10.0776 16 KVEC( 869) = 5 -10 -9 10.0783 16 KVEC( 870) = 2 -11 -9 10.0783 16 KVEC( 871) = 0 -6 -34 10.0950 8 KVEC( 872) = 4 -10 -14 10.1000 16 KVEC( 873) = 3 -7 -30 10.1217 16 KVEC( 874) = 2 -7 -31 10.1246 16 KVEC( 875) = 5 -9 -18 10.1248 16 KVEC( 876) = 7 -9 -6 10.1263 16 KVEC( 877) = 3 -11 -6 10.1263 16 KVEC( 878) = 0 -9 -25 10.1264 8 KVEC( 879) = 5 -8 -23 10.1269 16 KVEC( 880) = 3 -10 -17 10.1281 16 KVEC( 881) = 0 0 -40 10.1308 2 KVEC( 882) = 2 -8 -28 10.1350 16 KVEC( 883) = 6 -8 -20 10.1370 16 KVEC( 884) = 0 -10 -20 10.1370 8 KVEC( 885) = 8 -8 -8 10.1388 8 KVEC( 886) = 3 -8 -27 10.1512 16 KVEC( 887) = 4 -9 -21 10.1527 16 KVEC( 888) = 1 -5 -36 10.1577 16 KVEC( 889) = 1 -11 -12 10.1637 16 KVEC( 890) = 4 -7 -29 10.2011 16 KVEC( 891) = 1 -8 -29 10.2011 16 KVEC( 892) = 0 -11 -13 10.2046 8 KVEC( 893) = 5 -10 -11 10.2048 16 KVEC( 894) = 2 -11 -11 10.2048 16 KVEC( 895) = 1 -1 -40 10.2066 8 KVEC( 896) = 5 -5 -32 10.2096 8 KVEC( 897) = 1 -7 -32 10.2096 16 KVEC( 898) = 7 -9 -8 10.2146 16 KVEC( 899) = 3 -11 -8 10.2146 16 KVEC( 900) = 0 -3 -39 10.2227 8 KVEC( 901) = 3 -6 -33 10.2250 16 KVEC( 902) = 6 -9 -15 10.2294 16 KVEC( 903) = 6 -10 0 10.2400 8 KVEC( 904) = 0 -4 -38 10.2451 8 KVEC( 905) = 2 -6 -34 10.2466 16 KVEC( 906) = 4 -8 -26 10.2491 16 KVEC( 907) = 8 -8 -10 10.2520 8 KVEC( 908) = 6 -10 -2 10.2525 16 KVEC( 909) = 6 -7 -25 10.2775 16 KVEC( 910) = 2 -9 -25 10.2775 16 KVEC( 911) = 7 -8 -17 10.2792 16 KVEC( 912) = 4 -11 -1 10.2807 16 KVEC( 913) = 0 -2 -40 10.2819 8 KVEC( 914) = 4 -6 -32 10.2848 16 KVEC( 915) = 6 -6 -28 10.2861 8 KVEC( 916) = 2 -10 -20 10.2880 16 KVEC( 917) = 4 -10 -16 10.2888 16 KVEC( 918) = 6 -10 -4 10.2900 16 KVEC( 919) = 1 -10 -21 10.3034 16 KVEC( 920) = 4 -11 -3 10.3057 16 KVEC( 921) = 3 -9 -24 10.3121 16 KVEC( 922) = 3 -3 -38 10.3201 8 KVEC( 923) = 1 -9 -26 10.3240 16 KVEC( 924) = 7 -7 -22 10.3250 8 KVEC( 925) = 1 -11 -14 10.3265 16 KVEC( 926) = 7 -9 -10 10.3270 16 KVEC( 927) = 3 -11 -10 10.3270 16 KVEC( 928) = 0 -8 -30 10.3477 8 KVEC( 929) = 3 -4 -37 10.3484 16 KVEC( 930) = 0 -5 -37 10.3484 8 KVEC( 931) = 1 -6 -35 10.3492 16 KVEC( 932) = 6 -10 -6 10.3522 16 KVEC( 933) = 3 -10 -19 10.3536 16 KVEC( 934) = 5 -10 -13 10.3546 16 KVEC( 935) = 2 -11 -13 10.3546 16 KVEC( 936) = 4 -11 -5 10.3553 16 KVEC( 937) = 5 -7 -28 10.3607 16 KVEC( 938) = 5 -9 -20 10.3627 16 KVEC( 939) = 2 -3 -39 10.3725 16 KVEC( 940) = 0 -7 -33 10.3747 8 KVEC( 941) = 0 -11 -15 10.3791 8 KVEC( 942) = 4 -4 -36 10.3829 8 KVEC( 943) = 8 -8 -12 10.3888 8 KVEC( 944) = 2 -4 -38 10.3945 16 KVEC( 945) = 6 -8 -22 10.3994 16 KVEC( 946) = 0 -10 -22 10.3994 8 KVEC( 947) = 0 -1 -41 10.4211 8 KVEC( 948) = 5 -6 -31 10.4248 16 KVEC( 949) = 5 -8 -25 10.4265 16 KVEC( 950) = 4 -9 -23 10.4270 16 KVEC( 951) = 6 -9 -17 10.4282 16 KVEC( 952) = 4 -11 -7 10.4294 16 KVEC( 953) = 2 -2 -40 10.4308 8 KVEC( 954) = 6 -10 -8 10.4386 16 KVEC( 955) = 0 -9 -27 10.4506 8 KVEC( 956) = 3 -5 -36 10.4569 16 KVEC( 957) = 7 -9 -12 10.4627 16 KVEC( 958) = 3 -11 -12 10.4627 16 KVEC( 959) = 2 -8 -30 10.4957 16 KVEC( 960) = 2 -5 -37 10.4964 16 KVEC( 961) = 4 -5 -35 10.4971 16 KVEC( 962) = 4 -10 -18 10.4986 16 KVEC( 963) = 3 -8 -29 10.4991 16 KVEC( 964) = 7 -8 -19 10.5015 16 KVEC( 965) = 1 -3 -40 10.5044 16 KVEC( 966) = 3 -7 -32 10.5073 16 KVEC( 967) = 1 -11 -16 10.5112 16 KVEC( 968) = 1 -4 -39 10.5201 16 KVEC( 969) = 2 -7 -33 10.5223 16 KVEC( 970) = 5 -10 -15 10.5266 16 KVEC( 971) = 2 -11 -15 10.5266 16 KVEC( 972) = 4 -11 -9 10.5273 16 KVEC( 973) = 0 -6 -36 10.5304 8 KVEC( 974) = 0 -12 0 10.5369 4 KVEC( 975) = 2 -10 -22 10.5467 16 KVEC( 976) = 8 -8 -14 10.5481 8 KVEC( 977) = 6 -10 -10 10.5486 16 KVEC( 978) = 0 -12 -2 10.5491 8 KVEC( 979) = 1 -2 -41 10.5680 16 KVEC( 980) = 4 -7 -31 10.5716 16 KVEC( 981) = 1 -8 -31 10.5716 16 KVEC( 982) = 1 -10 -23 10.5738 16 KVEC( 983) = 0 -11 -17 10.5750 8 KVEC( 984) = 8 -9 -1 10.5765 16 KVEC( 985) = 1 -12 -1 10.5765 16 KVEC( 986) = 4 -8 -28 10.5816 16 KVEC( 987) = 0 -12 -4 10.5855 8 KVEC( 988) = 6 -7 -27 10.5971 16 KVEC( 989) = 2 -9 -27 10.5971 16 KVEC( 990) = 3 -10 -21 10.5985 16 KVEC( 991) = 8 -9 -3 10.6007 16 KVEC( 992) = 1 -12 -3 10.6007 16 KVEC( 993) = 7 -7 -24 10.6069 8 KVEC( 994) = 5 -11 0 10.6098 8 KVEC( 995) = 1 -5 -38 10.6147 16 KVEC( 996) = 5 -5 -34 10.6162 8 KVEC( 997) = 1 -7 -34 10.6162 16 KVEC( 998) = 3 -9 -26 10.6186 16 KVEC( 999) = 5 -9 -22 10.6195 16 KVEC( 1000) = 7 -9 -14 10.6209 16 KVEC( 1001) = 3 -11 -14 10.6209 16 KVEC( 1002) = 5 -11 -2 10.6219 16 KVEC( 1003) = 0 0 -42 10.6373 2 KVEC( 1004) = 6 -6 -30 10.6416 8 KVEC( 1005) = 3 -6 -35 10.6430 16 KVEC( 1006) = 0 -12 -6 10.6459 8 KVEC( 1007) = 6 -9 -19 10.6473 16 KVEC( 1008) = 4 -11 -11 10.6485 16 KVEC( 1009) = 8 -9 -5 10.6490 16 KVEC( 1010) = 1 -12 -5 10.6490 16 KVEC( 1011) = 1 -9 -28 10.6543 16 KVEC( 1012) = 5 -11 -4 10.6581 16 KVEC( 1013) = 2 -6 -36 10.6758 16 KVEC( 1014) = 6 -8 -24 10.6794 16 KVEC( 1015) = 0 -10 -24 10.6794 8 KVEC( 1016) = 6 -10 -12 10.6815 16 KVEC( 1017) = 2 -12 0 10.6822 8 KVEC( 1018) = 4 -6 -34 10.6885 16 KVEC( 1019) = 2 -12 -2 10.6942 16 KVEC( 1020) = 1 -1 -42 10.7095 8 KVEC( 1021) = 0 -3 -41 10.7130 8 KVEC( 1022) = 5 -7 -30 10.7138 16 KVEC( 1023) = 1 -11 -18 10.7167 16 KVEC( 1024) = 5 -11 -6 10.7181 16 KVEC( 1025) = 4 -9 -25 10.7182 16 KVEC( 1026) = 5 -10 -17 10.7198 16 KVEC( 1027) = 2 -11 -17 10.7198 16 KVEC( 1028) = 8 -9 -7 10.7210 16 KVEC( 1029) = 1 -12 -7 10.7210 16 KVEC( 1030) = 7 -10 -1 10.7213 16 KVEC( 1031) = 0 -4 -40 10.7223 8 KVEC( 1032) = 0 -8 -32 10.7252 8 KVEC( 1033) = 4 -10 -20 10.7283 16 KVEC( 1034) = 8 -8 -16 10.7290 8 KVEC( 1035) = 0 -12 -8 10.7299 8 KVEC( 1036) = 2 -12 -4 10.7302 16 KVEC( 1037) = 5 -8 -27 10.7416 16 KVEC( 1038) = 7 -8 -21 10.7430 16 KVEC( 1039) = 7 -10 -3 10.7452 16 KVEC( 1040) = 0 -2 -42 10.7813 8 KVEC( 1041) = 1 -6 -37 10.7862 16 KVEC( 1042) = 0 -7 -35 10.7869 8 KVEC( 1043) = 0 -9 -29 10.7888 8 KVEC( 1044) = 2 -12 -6 10.7898 16 KVEC( 1045) = 0 -11 -19 10.7912 8 KVEC( 1046) = 4 -11 -13 10.7921 16 KVEC( 1047) = 7 -10 -5 10.7928 16 KVEC( 1048) = 3 -3 -40 10.7940 8 KVEC( 1049) = 7 -9 -16 10.8006 16 KVEC( 1050) = 3 -11 -16 10.8006 16 KVEC( 1051) = 5 -11 -8 10.8016 16 KVEC( 1052) = 3 -4 -39 10.8093 16 KVEC( 1053) = 0 -5 -39 10.8093 8 KVEC( 1054) = 5 -6 -33 10.8114 16 KVEC( 1055) = 8 -9 -9 10.8163 16 KVEC( 1056) = 1 -12 -9 10.8163 16 KVEC( 1057) = 2 -10 -24 10.8228 16 KVEC( 1058) = 4 -4 -38 10.8304 8 KVEC( 1059) = 6 -10 -14 10.8365 16 KVEC( 1060) = 0 -12 -10 10.8370 8 KVEC( 1061) = 2 -3 -41 10.8559 16 KVEC( 1062) = 3 -8 -31 10.8595 16 KVEC( 1063) = 1 -10 -25 10.8611 16 KVEC( 1064) = 3 -10 -23 10.8616 16 KVEC( 1065) = 7 -10 -7 10.8639 16 KVEC( 1066) = 3 -12 -1 10.8641 16 KVEC( 1067) = 2 -4 -40 10.8652 16 KVEC( 1068) = 2 -8 -32 10.8680 16 KVEC( 1069) = 2 -12 -8 10.8727 16 KVEC( 1070) = 6 -9 -21 10.8856 16 KVEC( 1071) = 3 -12 -3 10.8877 16 KVEC( 1072) = 5 -9 -24 10.8938 16 KVEC( 1073) = 3 -5 -38 10.9014 16 KVEC( 1074) = 3 -7 -34 10.9028 16 KVEC( 1075) = 7 -7 -26 10.9051 8 KVEC( 1076) = 5 -11 -10 10.9079 16 KVEC( 1077) = 2 -2 -42 10.9234 8 KVEC( 1078) = 0 -1 -43 10.9259 8 KVEC( 1079) = 4 -8 -30 10.9276 16 KVEC( 1080) = 4 -5 -37 10.9282 16 KVEC( 1081) = 2 -7 -35 10.9289 16 KVEC( 1082) = 8 -8 -18 10.9304 8 KVEC( 1083) = 6 -7 -29 10.9308 16 KVEC( 1084) = 2 -9 -29 10.9308 16 KVEC( 1085) = 5 -10 -19 10.9331 16 KVEC( 1086) = 2 -11 -19 10.9331 16 KVEC( 1087) = 8 -9 -11 10.9343 16 KVEC( 1088) = 1 -12 -11 10.9343 16 KVEC( 1089) = 3 -12 -5 10.9348 16 KVEC( 1090) = 3 -9 -28 10.9399 16 KVEC( 1091) = 1 -11 -20 10.9418 16 KVEC( 1092) = 2 -5 -39 10.9510 16 KVEC( 1093) = 4 -7 -33 10.9531 16 KVEC( 1094) = 1 -8 -33 10.9531 16 KVEC( 1095) = 4 -11 -15 10.9573 16 KVEC( 1096) = 7 -10 -9 10.9580 16 KVEC( 1097) = 0 -12 -12 10.9665 8 KVEC( 1098) = 0 -6 -38 10.9719 8 KVEC( 1099) = 6 -8 -26 10.9756 16 KVEC( 1100) = 0 -10 -26 10.9756 8 KVEC( 1101) = 4 -10 -22 10.9765 16 KVEC( 1102) = 2 -12 -10 10.9784 16 KVEC( 1103) = 1 -3 -42 10.9937 16 KVEC( 1104) = 1 -4 -41 10.9971 16 KVEC( 1105) = 1 -9 -30 10.9979 16 KVEC( 1106) = 7 -9 -18 11.0007 16 KVEC( 1107) = 3 -11 -18 11.0007 16 KVEC( 1108) = 7 -8 -23 11.0026 16 KVEC( 1109) = 3 -12 -7 11.0049 16 KVEC( 1110) = 6 -11 -1 11.0052 16 KVEC( 1111) = 6 -6 -32 11.0090 8 KVEC( 1112) = 6 -10 -16 11.0127 16 KVEC( 1113) = 4 -9 -27 11.0250 16 KVEC( 1114) = 0 -11 -21 11.0264 8 KVEC( 1115) = 6 -11 -3 11.0285 16 KVEC( 1116) = 5 -5 -36 11.0310 8 KVEC( 1117) = 1 -7 -36 11.0310 16 KVEC( 1118) = 5 -11 -12 11.0365 16 KVEC( 1119) = 1 -2 -43 11.0662 16 KVEC( 1120) = 3 -6 -37 11.0685 16 KVEC( 1121) = 5 -8 -29 11.0710 16 KVEC( 1122) = 8 -9 -13 11.0742 16 KVEC( 1123) = 1 -12 -13 11.0742 16 KVEC( 1124) = 7 -10 -11 11.0744 16 KVEC( 1125) = 6 -11 -5 11.0749 16 KVEC( 1126) = 1 -5 -40 11.0761 16 KVEC( 1127) = 5 -7 -32 11.0788 16 KVEC( 1128) = 3 -12 -9 11.0978 16 KVEC( 1129) = 4 -6 -36 11.1007 16 KVEC( 1130) = 2 -12 -12 11.1062 16 KVEC( 1131) = 4 -12 0 11.1069 8 KVEC( 1132) = 2 -6 -38 11.1115 16 KVEC( 1133) = 0 -8 -34 11.1129 8 KVEC( 1134) = 2 -10 -26 11.1152 16 KVEC( 1135) = 0 -12 -14 11.1175 8 KVEC( 1136) = 4 -12 -2 11.1184 16 KVEC( 1137) = 0 -9 -31 11.1398 8 KVEC( 1138) = 3 -10 -25 11.1414 16 KVEC( 1139) = 6 -9 -23 11.1419 16 KVEC( 1140) = 4 -11 -17 11.1430 16 KVEC( 1141) = 0 0 -44 11.1438 2 KVEC( 1142) = 6 -11 -7 11.1442 16 KVEC( 1143) = 8 -8 -20 11.1511 8 KVEC( 1144) = 4 -12 -4 11.1530 16 KVEC( 1145) = 1 -10 -27 11.1640 16 KVEC( 1146) = 5 -10 -21 11.1653 16 KVEC( 1147) = 2 -11 -21 11.1653 16 KVEC( 1148) = 9 -9 0 11.1761 4 KVEC( 1149) = 5 -9 -26 11.1844 16 KVEC( 1150) = 1 -11 -22 11.1853 16 KVEC( 1151) = 5 -11 -14 11.1866 16 KVEC( 1152) = 9 -9 -2 11.1875 8 KVEC( 1153) = 0 -4 -42 11.2022 8 KVEC( 1154) = 0 -3 -43 11.2046 8 KVEC( 1155) = 0 -7 -37 11.2069 8 KVEC( 1156) = 5 -6 -35 11.2076 16 KVEC( 1157) = 6 -10 -18 11.2090 16 KVEC( 1158) = 4 -12 -6 11.2103 16 KVEC( 1159) = 7 -10 -13 11.2126 16 KVEC( 1160) = 3 -12 -11 11.2128 16 KVEC( 1161) = 1 -1 -44 11.2128 8 KVEC( 1162) = 7 -7 -28 11.2183 8 KVEC( 1163) = 7 -9 -20 11.2201 16 KVEC( 1164) = 3 -11 -20 11.2201 16 KVEC( 1165) = 9 -9 -4 11.2219 8 KVEC( 1166) = 1 -6 -39 11.2291 16 KVEC( 1167) = 3 -8 -33 11.2311 16 KVEC( 1168) = 8 -9 -15 11.2352 16 KVEC( 1169) = 1 -12 -15 11.2352 16 KVEC( 1170) = 6 -11 -9 11.2359 16 KVEC( 1171) = 4 -10 -24 11.2421 16 KVEC( 1172) = 8 -10 0 11.2448 8 KVEC( 1173) = 2 -8 -34 11.2508 16 KVEC( 1174) = 2 -12 -14 11.2553 16 KVEC( 1175) = 8 -10 -2 11.2562 16 KVEC( 1176) = -3 -3 -42 11.2708 8 KVEC( 1177) = 0 -5 -41 11.2740 8 KVEC( 1178) = -3 -4 -41 11.2740 16 KVEC( 1179) = 3 -9 -30 11.2748 16 KVEC( 1180) = 6 -7 -31 11.2774 16 KVEC( 1181) = 2 -9 -31 11.2774 16 KVEC( 1182) = 9 -9 -6 11.2789 8 KVEC( 1183) = 7 -8 -25 11.2790 16 KVEC( 1184) = 0 -11 -23 11.2794 8 KVEC( 1185) = 0 -2 -44 11.2814 8 KVEC( 1186) = -4 -4 -40 11.2830 8 KVEC( 1187) = 4 -8 -32 11.2857 16 KVEC( 1188) = 6 -8 -28 11.2868 16 KVEC( 1189) = 0 -10 -28 11.2868 8 KVEC( 1190) = 0 -12 -16 11.2893 8 KVEC( 1191) = 4 -12 -8 11.2902 16 KVEC( 1192) = 8 -10 -4 11.2904 16 KVEC( 1193) = 3 -7 -36 11.3071 16 KVEC( 1194) = -2 -4 -42 11.3390 16 KVEC( 1195) = -2 -3 -43 11.3414 16 KVEC( 1196) = 2 -7 -37 11.3437 16 KVEC( 1197) = 4 -7 -35 11.3443 16 KVEC( 1198) = 1 -8 -35 11.3443 16 KVEC( 1199) = 4 -9 -29 11.3461 16 KVEC( 1200) = 8 -10 -6 11.3471 16 KVEC( 1201) = 4 -11 -19 11.3484 16 KVEC( 1202) = 3 -12 -13 11.3493 16 KVEC( 1203) = 6 -11 -11 11.3495 16 KVEC( 1204) = -3 -5 -40 11.3511 16 KVEC( 1205) = 1 -9 -32 11.3538 16 KVEC( 1206) = 5 -11 -16 11.3574 16 KVEC( 1207) = 9 -9 -8 11.3582 8 KVEC( 1208) = -4 -5 -39 11.3656 16 KVEC( 1209) = 7 -10 -15 11.3716 16 KVEC( 1210) = 6 -6 -34 11.3871 8 KVEC( 1211) = 8 -8 -22 11.3902 8 KVEC( 1212) = 4 -12 -10 11.3920 16 KVEC( 1213) = -2 -5 -41 11.4100 16 KVEC( 1214) = 5 -8 -31 11.4133 16 KVEC( 1215) = 6 -9 -25 11.4149 16 KVEC( 1216) = 5 -10 -23 11.4153 16 KVEC( 1217) = 2 -11 -23 11.4153 16 KVEC( 1218) = 8 -9 -17 11.4164 16 KVEC( 1219) = 1 -12 -17 11.4164 16 KVEC( 1220) = -2 -2 -44 11.4172 8 KVEC( 1221) = 5 -12 -1 11.4178 16 KVEC( 1222) = 0 -13 -1 11.4178 8 KVEC( 1223) = 0 -6 -40 11.4188 8 KVEC( 1224) = 2 -10 -28 11.4226 16 KVEC( 1225) = 6 -10 -20 11.4244 16 KVEC( 1226) = 2 -12 -16 11.4250 16 KVEC( 1227) = 8 -10 -8 11.4259 16 KVEC( 1228) = 0 -1 -45 11.4309 8 KVEC( 1229) = 3 -10 -27 11.4369 16 KVEC( 1230) = 5 -12 -3 11.4402 16 KVEC( 1231) = 0 -13 -3 11.4402 8 KVEC( 1232) = 1 -11 -24 11.4460 16 KVEC( 1233) = 7 -11 0 11.4487 8 KVEC( 1234) = 1 -13 0 11.4487 8 KVEC( 1235) = 1 -7 -38 11.4532 16 KVEC( 1236) = -5 -5 -38 11.4532 8 KVEC( 1237) = 5 -7 -34 11.4546 16 KVEC( 1238) = 7 -9 -22 11.4577 16 KVEC( 1239) = 3 -11 -22 11.4577 16 KVEC( 1240) = 9 -9 -10 11.4595 8 KVEC( 1241) = 7 -11 -2 11.4599 16 KVEC( 1242) = 1 -13 -2 11.4599 16 KVEC( 1243) = -1 -4 -43 11.4766 16 KVEC( 1244) = 0 -12 -18 11.4808 8 KVEC( 1245) = 1 -10 -29 11.4812 16 KVEC( 1246) = 6 -11 -13 11.4843 16 KVEC( 1247) = -1 -3 -44 11.4846 16 KVEC( 1248) = 5 -12 -5 11.4850 16 KVEC( 1249) = 0 -13 -5 11.4850 8 KVEC( 1250) = 5 -9 -28 11.4899 16 KVEC( 1251) = 7 -11 -4 11.4934 16 KVEC( 1252) = 1 -13 -4 11.4934 16 KVEC( 1253) = -3 -6 -39 11.5005 16 KVEC( 1254) = 0 -9 -33 11.5025 8 KVEC( 1255) = 3 -12 -15 11.5064 16 KVEC( 1256) = 0 -8 -36 11.5099 8 KVEC( 1257) = 4 -12 -12 11.5152 16 KVEC( 1258) = -4 -6 -38 11.5204 16 KVEC( 1259) = 4 -10 -26 11.5239 16 KVEC( 1260) = 8 -10 -10 11.5265 16 KVEC( 1261) = -1 -5 -42 11.5412 16 KVEC( 1262) = 7 -7 -30 11.5451 8 KVEC( 1263) = 5 -11 -18 11.5478 16 KVEC( 1264) = 7 -11 -6 11.5491 16 KVEC( 1265) = 1 -13 -6 11.5491 16 KVEC( 1266) = 0 -11 -25 11.5492 8 KVEC( 1267) = 7 -10 -17 11.5507 16 KVEC( 1268) = 5 -12 -7 11.5518 16 KVEC( 1269) = 0 -13 -7 11.5518 8 KVEC( 1270) = 2 -13 -1 11.5520 16 KVEC( 1271) = -2 -6 -40 11.5531 16 KVEC( 1272) = -1 -2 -45 11.5650 16 KVEC( 1273) = 7 -8 -27 11.5709 16 KVEC( 1274) = 4 -11 -21 11.5723 16 KVEC( 1275) = 2 -13 -3 11.5742 16 KVEC( 1276) = 9 -9 -12 11.5819 8 KVEC( 1277) = 6 -8 -30 11.6117 16 KVEC( 1278) = 0 -10 -30 11.6117 8 KVEC( 1279) = -5 -6 -37 11.6124 16 KVEC( 1280) = 3 -8 -35 11.6130 16 KVEC( 1281) = 2 -12 -18 11.6144 16 KVEC( 1282) = 8 -9 -19 11.6170 16 KVEC( 1283) = 1 -12 -19 11.6170 16 KVEC( 1284) = 2 -13 -5 11.6185 16 KVEC( 1285) = 3 -9 -32 11.6222 16 KVEC( 1286) = 7 -11 -8 11.6266 16 KVEC( 1287) = 1 -13 -8 11.6266 16 KVEC( 1288) = 0 -7 -39 11.6338 8 KVEC( 1289) = 6 -7 -33 11.6357 16 KVEC( 1290) = 2 -9 -33 11.6357 16 KVEC( 1291) = 6 -11 -15 11.6397 16 KVEC( 1292) = 5 -12 -9 11.6403 16 KVEC( 1293) = 0 -13 -9 11.6403 8 KVEC( 1294) = 2 -8 -36 11.6431 16 KVEC( 1295) = 8 -8 -24 11.6464 8 KVEC( 1296) = 8 -10 -12 11.6483 16 KVEC( 1297) = 0 0 -46 11.6504 2 KVEC( 1298) = 4 -8 -34 11.6548 16 KVEC( 1299) = 6 -10 -22 11.6578 16 KVEC( 1300) = 4 -12 -14 11.6591 16 KVEC( 1301) = -1 -6 -41 11.6771 16 KVEC( 1302) = 4 -9 -31 11.6804 16 KVEC( 1303) = 5 -10 -25 11.6819 16 KVEC( 1304) = 2 -11 -25 11.6819 16 KVEC( 1305) = 3 -12 -17 11.6835 16 KVEC( 1306) = 2 -13 -7 11.6846 16 KVEC( 1307) = 0 -12 -20 11.6912 8 KVEC( 1308) = 6 -9 -27 11.7035 16 KVEC( 1309) = 7 -9 -24 11.7124 16 KVEC( 1310) = 3 -11 -24 11.7124 16 KVEC( 1311) = 3 -13 0 11.7150 8 KVEC( 1312) = -1 -1 -46 11.7164 8 KVEC( 1313) = -3 -7 -38 11.7194 16 KVEC( 1314) = 1 -9 -34 11.7207 16 KVEC( 1315) = 1 -11 -26 11.7229 16 KVEC( 1316) = 9 -9 -14 11.7251 8 KVEC( 1317) = 7 -11 -10 11.7255 16 KVEC( 1318) = 1 -13 -10 11.7255 16 KVEC( 1319) = 3 -13 -2 11.7259 16 KVEC( 1320) = -4 -4 -42 11.7399 8 KVEC( 1321) = -3 -4 -43 11.7422 16 KVEC( 1322) = 2 -10 -30 11.7438 16 KVEC( 1323) = 1 -8 -37 11.7444 16 KVEC( 1324) = -4 -7 -37 11.7444 16 KVEC( 1325) = 3 -10 -29 11.7468 16 KVEC( 1326) = 7 -10 -19 11.7489 16 KVEC( 1327) = 5 -12 -11 11.7500 16 KVEC( 1328) = 0 -13 -11 11.7500 8 KVEC( 1329) = -3 -3 -44 11.7500 8 KVEC( 1330) = 5 -11 -20 11.7570 16 KVEC( 1331) = 3 -13 -4 11.7587 16 KVEC( 1332) = -2 -7 -39 11.7656 16 KVEC( 1333) = 5 -8 -33 11.7675 16 KVEC( 1334) = 2 -13 -9 11.7721 16 KVEC( 1335) = -6 -6 -36 11.7748 8 KVEC( 1336) = 6 -12 0 11.7806 8 KVEC( 1337) = 8 -10 -14 11.7906 16 KVEC( 1338) = 6 -12 -2 11.7915 16 KVEC( 1339) = -3 -5 -42 11.8054 16 KVEC( 1340) = -4 -5 -41 11.8085 16 KVEC( 1341) = 5 -9 -30 11.8093 16 KVEC( 1342) = 1 -10 -31 11.8117 16 KVEC( 1343) = 3 -13 -6 11.8131 16 KVEC( 1344) = 4 -11 -23 11.8136 16 KVEC( 1345) = 6 -11 -17 11.8147 16 KVEC( 1346) = -2 -4 -44 11.8155 16 KVEC( 1347) = 9 -10 -1 11.8160 16 KVEC( 1348) = 4 -10 -28 11.8206 16 KVEC( 1349) = 2 -12 -20 11.8224 16 KVEC( 1350) = 4 -12 -16 11.8230 16 KVEC( 1351) = 6 -12 -4 11.8241 16 KVEC( 1352) = -2 -3 -45 11.8287 16 KVEC( 1353) = 0 -11 -27 11.8345 8 KVEC( 1354) = 8 -9 -21 11.8358 16 KVEC( 1355) = 1 -12 -21 11.8358 16 KVEC( 1356) = 9 -10 -3 11.8377 16 KVEC( 1357) = -5 -7 -36 11.8401 16 KVEC( 1358) = 7 -11 -12 11.8452 16 KVEC( 1359) = 1 -13 -12 11.8452 16 KVEC( 1360) = -2 -5 -43 11.8728 16 KVEC( 1361) = 0 -9 -35 11.8756 8 KVEC( 1362) = 7 -8 -29 11.8773 16 KVEC( 1363) = 6 -12 -6 11.8782 16 KVEC( 1364) = 3 -12 -19 11.8795 16 KVEC( 1365) = 5 -12 -13 11.8803 16 KVEC( 1366) = 0 -13 -13 11.8803 8 KVEC( 1367) = 2 -13 -11 11.8805 16 KVEC( 1368) = 9 -10 -5 11.8810 16 KVEC( 1369) = -1 -7 -40 11.8821 16 KVEC( 1370) = -5 -5 -40 11.8821 8 KVEC( 1371) = 7 -7 -32 11.8846 8 KVEC( 1372) = 9 -9 -16 11.8880 8 KVEC( 1373) = 3 -13 -8 11.8889 16 KVEC( 1374) = 6 -10 -24 11.9082 16 KVEC( 1375) = -2 -2 -46 11.9122 8 KVEC( 1376) = 0 -8 -38 11.9152 8 KVEC( 1377) = 8 -8 -26 11.9186 8 KVEC( 1378) = 0 -12 -22 11.9194 8 KVEC( 1379) = -3 -6 -41 11.9383 16 KVEC( 1380) = 9 -10 -7 11.9456 16 KVEC( 1381) = 8 -11 -1 11.9458 16 KVEC( 1382) = 4 -13 -1 11.9458 16 KVEC( 1383) = -4 -6 -40 11.9468 16 KVEC( 1384) = 6 -8 -32 11.9493 16 KVEC( 1385) = 0 -10 -32 11.9493 8 KVEC( 1386) = 8 -10 -16 11.9527 16 KVEC( 1387) = 6 -12 -8 11.9536 16 KVEC( 1388) = 5 -10 -27 11.9641 16 KVEC( 1389) = 2 -11 -27 11.9641 16 KVEC( 1390) = 7 -10 -21 11.9653 16 KVEC( 1391) = 8 -11 -3 11.9673 16 KVEC( 1392) = 4 -13 -3 11.9673 16 KVEC( 1393) = 3 -9 -34 11.9810 16 KVEC( 1394) = 7 -9 -26 11.9831 16 KVEC( 1395) = 3 -11 -26 11.9831 16 KVEC( 1396) = 5 -11 -22 11.9839 16 KVEC( 1397) = 7 -11 -14 11.9852 16 KVEC( 1398) = 1 -13 -14 11.9852 16 KVEC( 1399) = 3 -13 -10 11.9856 16 KVEC( 1400) = -2 -6 -42 11.9997 16 SIZE INCLUDING STAR MEMBERS = 18467 time in recpr: 6.000000000000000E-002 Energy window: 0.2826 < E < 1.165 Greens function calculation for 1 atoms --------- atom 1 ------------- l= 2 qsplit= 2 No symmetrization over eq. k-points is performed ********** Start Reading Cix file ************* Correlated block number 1 Correlated index= 1 0 0 0 0 0 2 0 0 0 0 0 3 0 0 0 0 0 4 0 0 0 0 0 5 Real part of unitary matrix= 0.0000 0.0000 1.0000 0.0000 0.0000 0.7071 0.0000 0.0000 0.0000 0.7071 0.0000 0.7071 0.0000 -0.7071 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.7071 0.0000 0.0000 0.0000 0.7071 Imaginary part of unitary matrix= 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7071 0.0000 0.7071 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 At least one transformation matrix is not Identity 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 0.711144682495094 SUM RULE OF TETRAHEDRON INTEGRATION CHECKED call eweigh... number of occupied bands: 32 highest energy: 0.766183262552093 Bandranges (emin - emax) and occupancy: band 1 -4.4679721637 -4.4677825330 0.200000D+01 band 2 -4.4679621470 -4.4677747371 0.200000D+01 band 3 -4.3965882344 -4.3965345867 0.200000D+01 band 4 -1.6296343795 -1.6147827875 0.200000D+01 band 5 -1.6220469861 -1.6109917306 0.200000D+01 band 6 -0.7325198661 -0.6600540111 0.200000D+01 band 7 -0.6699898344 -0.5987007616 0.200000D+01 band 8 -0.6267700459 -0.5916276050 0.200000D+01 band 9 -0.6011288979 -0.5503625161 0.200000D+01 band 10 -0.4674894958 -0.4111645085 0.200000D+01 band 11 -0.4594575250 -0.4028378581 0.200000D+01 band 12 -0.4341627232 -0.3947170024 0.200000D+01 band 13 -0.4123291228 -0.3784605201 0.200000D+01 band 14 -0.4004459516 -0.3306605064 0.200000D+01 band 15 -0.3583358663 -0.3174847808 0.200000D+01 band 16 0.1472855625 0.3219830520 0.200000D+01 band 17 0.2554149842 0.3356265485 0.200000D+01 band 18 0.2863659601 0.4010052347 0.200000D+01 band 19 0.3436366786 0.4336116112 0.200000D+01 band 20 0.3755038129 0.4468520632 0.200000D+01 band 21 0.4150749638 0.4701614187 0.200000D+01 band 22 0.4457495356 0.4928457555 0.200000D+01 band 23 0.4484607746 0.4984177588 0.200000D+01 band 24 0.4704698716 0.5147143156 0.200000D+01 band 25 0.4811005540 0.5592347689 0.200000D+01 band 26 0.4963373168 0.5600881563 0.200000D+01 band 27 0.5204368529 0.5875988862 0.200000D+01 band 28 0.5396139306 0.6111333989 0.200000D+01 band 29 0.5493222886 0.6302447745 0.200000D+01 band 30 0.5606585712 0.6326941372 0.200000D+01 band 31 0.5703317058 0.6769590637 0.200000D+01 band 32 0.6127573438 0.8623805373 0.100000D+01 band 33 0.7767897235 0.9334493520 0.000000D+00 band 34 0.8768106898 0.9379901511 0.000000D+00 band 35 0.9088264851 0.9409996007 0.000000D+00 band 36 0.9386472758 0.9561942657 0.000000D+00 band 37 0.9399131988 0.9598620548 0.000000D+00 band 38 0.9433876534 0.9615429567 0.000000D+00 band 39 0.9480161392 0.9639453468 0.000000D+00 band 40 0.9534722319 0.9665019981 0.000000D+00 band 41 0.9626413735 0.9686517317 0.000000D+00 band 42 0.9644203185 0.9712008717 0.000000D+00 band 43 0.9666469834 0.9792756736 0.000000D+00 band 44 0.9713800465 0.9818423019 0.000000D+00 band 45 0.9730863827 0.9875024812 0.000000D+00 band 46 0.9784055741 0.9912679617 0.000000D+00 band 47 0.9824741786 1.0474728234 0.000000D+00 band 48 0.9913858792 1.0778579943 0.000000D+00 band 49 1.0245708691 1.1072387632 0.000000D+00 band 50 1.0502823412 1.1386998423 0.000000D+00 band 51 1.0803536219 1.1993769931 0.000000D+00 band 52 1.0956703041 1.2324253397 0.000000D+00 band 53 1.1019650810 1.2398809294 0.000000D+00 band 54 1.1019650810 1.2460483058 0.000000D+00 band 55 1.1370706728 1.2793674430 0.000000D+00 band 56 1.1855836504 1.3195009408 0.000000D+00 band 57 1.1978446594 1.5158645349 0.000000D+00 band 58 1.2800388112 1.5469572037 0.000000D+00 band 59 1.3924996155 1.6063995959 0.000000D+00 band 60 1.5432261992 1.6537801385 0.000000D+00 band 61 1.5869963475 1.7316471574 0.000000D+00 band 62 1.6210117642 1.8566584013 0.000000D+00 band 63 1.6394847453 1.8566584013 0.000000D+00 band 64 1.6695495542 1.8873162540 0.000000D+00 band 65 1.7875567918 1.9235138852 0.000000D+00 band 66 1.7974791226 1.9995861868 0.000000D+00 band 67 1.8463908008 1.9995225369 0.000000D+00 band 68 1.9084070827 1.9999962732 0.000000D+00 band 69 1.9560873304 1.9993449442 0.000000D+00 band 70 1.9952326246 1.9973854453 0.000000D+00 eseper below EF 0.500000000000000 eseper minimum gap 5.000000000000000E-002 Energy to separate semicore and valence states: 9.728556245246199E-002 :NLDA : NUMBER OF ELECTRONS = 63.000 :FLDA : F E R M I - ENERGY = 1.21114 wmist 62.9999999998549 Actual position of atom 1 is: 0.000000 0.000000 0.000000 Actual position of atom 2 is: 0.000000 0.000000 0.638660 Actual position of atom 3 is: 0.000000 0.000000 -0.638660 Actual position of atom 4 is: 0.500000 0.000000 0.000000 Actual position of atom 5 is: 0.000000 0.500000 0.000000 Actual position of atom 6 is: 0.000000 0.000000 0.817700 Actual position of atom 7 is: 0.000000 0.000000 -0.817700 Combined transformation (acting on k-point) for correlated atoms including users rotation and internal local rotation catom 1 atom 1 0.87807 0.00000 0.00000 0.00000 0.87807 0.00000 0.00000 0.00000 0.25327 icase,lcase,icix,iorb,nind1,ip1,iSx= 1 1 1 1 5 1 1 icase,lcase,icix,iorb,nind1,ip1,iSx= 1 1 1 1 5 2 2 icase,lcase,icix,iorb,nind1,ip1,iSx= 1 1 1 1 5 3 3 icase,lcase,icix,iorb,nind1,ip1,iSx= 1 1 1 1 5 4 4 icase,lcase,icix,iorb,nind1,ip1,iSx= 1 1 1 1 5 5 5 cixdim( 1)= 5 noccur( 1, 1)= 1 noccur( 2, 1)= 1 noccur( 3, 1)= 1 noccur( 4, 1)= 1 noccur( 5, 1)= 1 iSx( 1, 1)= 1 iSx( 2, 1)= 2 iSx( 3, 1)= 3 iSx( 4, 1)= 4 iSx( 5, 1)= 5 nindo( 1)= 5 CF for iorb1= 1 iorb2= 1 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 0.00000000 0.00000000 -0.70710679 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 0.00000000 -0.70710679 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.70710679 0.00000000 -------------------------------------------------------------------- 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 -------------------------------------------------------------------- atom 1 ncomu 0 lmmax 6 LMMAX 6 LM= 0 0 2 0 4 0 4 4 6 0 6 4 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 atom 3 ncomu 0 lmmax 10 LMMAX 10 LM= 0 0 2 0 2 2 4 0 4 2 4 4 6 0 6 2 6 4 6 6 atom 4 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 :POS001: AT.NR. -1 POSITION = 0.00000 0.00000 0.00000 MULTIPLICITY = 1 NOT EQUIV ATOM Cu LOCAL ROTATION MATRIX 1.00000 0.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 1.00000 EQUIV ATOM 1 POSITION: 0.000 0.000 0.000 1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 ATOMIC PARAMETERS FOR Cu ENERGY PARAMETERS ARE 0.30 0.30 0.47 0.30 0.30 0.30 0.30 ENERGY PARAMETERS ARE 0.30 0.30 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 -0.752475E+00 0.521200E-01 0.922053E-01 0.369621E+00 0.602932E-02 3 3 3 0 -0.752475E+00 0.521200E-01 0.922053E-01 0.369621E+00 0.602932E-02 3 3 3 1 0.845531E+00 0.370886E+00 -0.633042E-01 -0.362414E+00 0.744435E-02 2 2 2 1 0.845531E+00 0.370886E+00 -0.633042E-01 -0.362414E+00 0.744435E-02 2 2 2 2 0.232563E+00 -0.265857E+00 -0.532806E+00 -0.607807E+00 0.283719E+00 0 0 0 2 0.232563E+00 -0.265857E+00 -0.532806E+00 -0.607807E+00 0.283719E+00 0 0 0 3 0.107536E+01 0.141229E+01 -0.537265E-01 -0.333666E+00 0.177371E-02 0 0 0 3 0.107536E+01 0.141229E+01 -0.537265E-01 -0.333666E+00 0.177371E-02 0 0 0 4 0.123528E+01 0.238817E+01 -0.362068E-01 -0.299034E+00 0.637665E-03 0 0 0 4 0.123528E+01 0.238817E+01 -0.362068E-01 -0.299034E+00 0.637665E-03 0 0 0 5 0.136356E+01 0.342228E+01 -0.274706E-01 -0.276426E+00 0.312903E-03 0 0 0 5 0.136356E+01 0.342228E+01 -0.274706E-01 -0.276426E+00 0.312903E-03 0 0 0 6 0.147632E+01 0.453130E+01 -0.219960E-01 -0.259135E+00 0.176394E-03 0 0 0 6 0.147632E+01 0.453130E+01 -0.219960E-01 -0.259135E+00 0.176394E-03 0 0 0 7 0.157901E+01 0.571617E+01 -0.182094E-01 -0.245070E+00 0.108293E-03 0 0 0 7 0.157901E+01 0.571617E+01 -0.182094E-01 -0.245070E+00 0.108293E-03 0 0 0 8 0.167429E+01 0.697473E+01 -0.154324E-01 -0.233231E+00 0.705928E-04 0 0 0 8 0.167429E+01 0.697473E+01 -0.154324E-01 -0.233231E+00 0.705928E-04 0 0 0 LO COEFFICIENT: l,A,B,C 0 0.84469 6.89338 0.00000 1 -0.954530E-01 0.169635E+00 0 1 0 LO COEFFICIENT: l,A,B,C 1 0.65539 8.75385 0.00000 LO COEFFICIENT: l,A,B,C 1 0.11056 0.00000 0.97933 LO COEFFICIENT: l,A,B,C 2 0.97402 0.42515 0.00000 :POS002: AT.NR. -2 POSITION = 0.00000 0.00000 0.63866 MULTIPLICITY = 2 NOT EQUIV ATOM La LOCAL ROTATION MATRIX 1.00000 0.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 1.00000 EQUIV ATOM 1 POSITION: 0.000 0.000 0.639 1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 EQUIV ATOM 2 POSITION: 0.000 0.000 0.361 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 La ENERGY PARAMETERS ARE -1.63 -0.27 0.38 0.30 0.30 0.30 0.30 ENERGY PARAMETERS ARE 0.30 0.30 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 0.209330E+00 -0.323490E+00 -0.283320E+00 -0.434603E+00 0.111239E+00 4 4 4 0 0.209330E+00 -0.323490E+00 -0.283320E+00 -0.434603E+00 0.111239E+00 4 4 4 1 -0.250294E+00 0.399292E+00 0.227772E+00 0.366345E+00 0.715218E-01 3 3 3 1 -0.250294E+00 0.399292E+00 0.227772E+00 0.366345E+00 0.715218E-01 3 3 3 2 0.523765E+00 -0.229796E-02 -0.119871E+00 -0.348189E+00 0.188643E-01 2 2 2 2 0.523765E+00 -0.229796E-02 -0.119871E+00 -0.348189E+00 0.188643E-01 2 2 2 3 0.451517E+00 0.203022E+00 -0.349155E+00 -0.561539E+00 0.261721E+00 0 0 0 3 0.451517E+00 0.203022E+00 -0.349155E+00 -0.561539E+00 0.261721E+00 0 0 0 4 0.837342E+00 0.113539E+01 -0.491899E-01 -0.284804E+00 0.259439E-02 0 0 0 4 0.837342E+00 0.113539E+01 -0.491899E-01 -0.284804E+00 0.259439E-02 0 0 0 5 0.949917E+00 0.178193E+01 -0.340930E-01 -0.256206E+00 0.998221E-03 0 0 0 5 0.949917E+00 0.178193E+01 -0.340930E-01 -0.256206E+00 0.998221E-03 0 0 0 6 0.104050E+01 0.245101E+01 -0.263014E-01 -0.237464E+00 0.509616E-03 0 0 0 6 0.104050E+01 0.245101E+01 -0.263014E-01 -0.237464E+00 0.509616E-03 0 0 0 7 0.111991E+01 0.315526E+01 -0.213405E-01 -0.223180E+00 0.296534E-03 0 0 0 7 0.111991E+01 0.315526E+01 -0.213405E-01 -0.223180E+00 0.296534E-03 0 0 0 8 0.119210E+01 0.389735E+01 -0.178646E-01 -0.211579E+00 0.187032E-03 0 0 0 8 0.119210E+01 0.389735E+01 -0.178646E-01 -0.211579E+00 0.187032E-03 0 0 0 0 -0.343367E+00 -0.737141E+00 0 5 0 LO COEFFICIENT: l,A,B,C 0 0.97095 0.71739 0.00000 LO COEFFICIENT: l,A,B,C 0 0.66121 0.00000 0.40310 1 -0.112673E+00 0.590166E+00 0 3 0 LO COEFFICIENT: l,A,B,C 1 0.95943 1.05429 0.00000 LO COEFFICIENT: l,A,B,C 1 0.80300 0.00000 -1.78382 LO COEFFICIENT: l,A,B,C 2 0.85744 3.74653 0.00000 :POS003: AT.NR. -3 POSITION = 0.50000 0.00000 0.00000 MULTIPLICITY = 2 NOT EQUIV ATOM O 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: 0.500 0.000 0.000 1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 EQUIV ATOM 2 POSITION: 0.000 0.500 0.000 0.00000 -1.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 ATOMIC PARAMETERS FOR O ENERGY PARAMETERS ARE -0.53 0.30 0.30 0.30 0.30 0.30 0.30 ENERGY PARAMETERS ARE 0.30 0.30 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 -0.372065E+00 0.609303E+00 0.292017E+00 0.485503E+00 0.532530E-01 1 1 1 0 -0.372065E+00 0.609303E+00 0.292017E+00 0.485503E+00 0.532530E-01 1 1 1 1 0.489203E+00 -0.385031E+00 -0.292011E+00 -0.503177E+00 0.595101E-01 0 0 0 1 0.489203E+00 -0.385031E+00 -0.292011E+00 -0.503177E+00 0.595101E-01 0 0 0 2 0.112278E+01 0.102707E+01 -0.701824E-01 -0.383556E+00 0.241657E-02 0 0 0 2 0.112278E+01 0.102707E+01 -0.701824E-01 -0.383556E+00 0.241657E-02 0 0 0 3 0.133743E+01 0.217197E+01 -0.440124E-01 -0.339567E+00 0.748386E-03 0 0 0 3 0.133743E+01 0.217197E+01 -0.440124E-01 -0.339567E+00 0.748386E-03 0 0 0 4 0.150331E+01 0.341288E+01 -0.320529E-01 -0.311269E+00 0.334077E-03 0 0 0 4 0.150331E+01 0.341288E+01 -0.320529E-01 -0.311269E+00 0.334077E-03 0 0 0 5 0.164693E+01 0.476925E+01 -0.249550E-01 -0.289957E+00 0.176114E-03 0 0 0 5 0.164693E+01 0.476925E+01 -0.249550E-01 -0.289957E+00 0.176114E-03 0 0 0 6 0.177658E+01 0.623920E+01 -0.202295E-01 -0.272837E+00 0.102734E-03 0 0 0 6 0.177658E+01 0.623920E+01 -0.202295E-01 -0.272837E+00 0.102734E-03 0 0 0 7 0.189616E+01 0.781748E+01 -0.168635E-01 -0.258578E+00 0.642991E-04 0 0 0 7 0.189616E+01 0.781748E+01 -0.168635E-01 -0.258578E+00 0.642991E-04 0 0 0 8 0.200793E+01 0.949854E+01 -0.143535E-01 -0.246415E+00 0.424217E-04 0 0 0 8 0.200793E+01 0.949854E+01 -0.143535E-01 -0.246415E+00 0.424217E-04 0 0 0 0 -0.113907E+00 0.964822E+00 0 1 0 LO COEFFICIENT: l,A,B,C 0 0.95939 1.22238 0.00000 LO COEFFICIENT: l,A,B,C 0 0.43542 0.00000 -1.42226 LO COEFFICIENT: l,A,B,C 1 0.92568 1.55078 0.00000 :POS004: AT.NR. -4 POSITION = 0.00000 0.00000 0.81770 MULTIPLICITY = 2 NOT EQUIV ATOM O LOCAL ROTATION MATRIX 1.00000 0.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 1.00000 EQUIV ATOM 1 POSITION: 0.000 0.000 0.818 1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 0.00000 1.00000 0.00000 EQUIV ATOM 2 POSITION: 0.000 0.000 0.182 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 O ENERGY PARAMETERS ARE -0.47 0.30 0.30 0.30 0.30 0.30 0.30 ENERGY PARAMETERS ARE 0.30 0.30 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 -0.371602E+00 0.603795E+00 0.293196E+00 0.488521E+00 0.536269E-01 1 1 1 0 -0.371602E+00 0.603795E+00 0.293196E+00 0.488521E+00 0.536269E-01 1 1 1 1 0.505614E+00 -0.348686E+00 -0.288462E+00 -0.510281E+00 0.580615E-01 0 0 0 1 0.505614E+00 -0.348686E+00 -0.288462E+00 -0.510281E+00 0.580615E-01 0 0 0 2 0.112865E+01 0.106345E+01 -0.696190E-01 -0.383293E+00 0.237574E-02 0 0 0 2 0.112865E+01 0.106345E+01 -0.696190E-01 -0.383293E+00 0.237574E-02 0 0 0 3 0.134145E+01 0.220594E+01 -0.437749E-01 -0.339272E+00 0.739523E-03 0 0 0 3 0.134145E+01 0.220594E+01 -0.437749E-01 -0.339272E+00 0.739523E-03 0 0 0 4 0.150638E+01 0.344492E+01 -0.319248E-01 -0.311022E+00 0.331070E-03 0 0 0 4 0.150638E+01 0.344492E+01 -0.319248E-01 -0.311022E+00 0.331070E-03 0 0 0 5 0.164939E+01 0.479966E+01 -0.248774E-01 -0.289757E+00 0.174858E-03 0 0 0 5 0.164939E+01 0.479966E+01 -0.248774E-01 -0.289757E+00 0.174858E-03 0 0 0 6 0.177862E+01 0.626821E+01 -0.201789E-01 -0.272675E+00 0.102137E-03 0 0 0 6 0.177862E+01 0.626821E+01 -0.201789E-01 -0.272675E+00 0.102137E-03 0 0 0 7 0.189789E+01 0.784527E+01 -0.168289E-01 -0.258445E+00 0.639883E-04 0 0 0 7 0.189789E+01 0.784527E+01 -0.168289E-01 -0.258445E+00 0.639883E-04 0 0 0 8 0.200942E+01 0.952524E+01 -0.143288E-01 -0.246304E+00 0.422483E-04 0 0 0 8 0.200942E+01 0.952524E+01 -0.143288E-01 -0.246304E+00 0.422483E-04 0 0 0 0 -0.132170E+00 0.939555E+00 0 1 0 LO COEFFICIENT: l,A,B,C 0 0.95953 1.21612 0.00000 LO COEFFICIENT: l,A,B,C 0 0.54365 0.00000 -1.52848 LO COEFFICIENT: l,A,B,C 1 0.92121 1.61468 0.00000 pr_proc= 1 tot-k= 99 pr_proc= 1 tot-k= 99 :NOE : NUMBER OF ELECTRONS = 63.000 :FER : F E R M I - ENERGY = 0.77143 max k indices: 4 4 16 n,iff1,iff2,iff3 786 24 24 72 pr_proc= 1 tot-k= 99 0 TOTAL CHARGE INSIDE SPHERE 1: 15.043610 :PCS001: PARTIAL CHARGES SPHERE = 1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ :QTL001: 0.2009 6.1761 8.6400 0.0217 2.0268 4.1493 0.0000 1.8474 1.8572 1.2659 3.6694 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: 0.0305 -0.6594 6.0035 -4.4236 0.0474 -0.5778 0.0037 -0.5842 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: 0.1704 0.3333 0.1727 0.4748 8.5925 0.5149 0.0179 0.4843 EFG INSIDE SPHERE 1: -13.459576 UP TO R = 1.8800000 0 TOTAL CHARGE INSIDE SPHERE 2: 7.384112 :PCS002: PARTIAL CHARGES SPHERE = 2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ :QTL002: 1.8866 5.0309 0.3201 0.1414 1.6888 3.3421 0.0000 0.0938 0.0597 0.0441 0.1225 0.0000 Q-s-low E-s-low Q-p-low E-p-low Q-d-low E-d-low Q-f-low E-f-low :EPL002: 1.8446 -1.6096 4.7586 -0.4189 0.0122 -0.5452 0.0037 -0.5253 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: 0.0420 0.4610 0.2722 0.4731 0.3079 0.4588 0.1377 0.4754 EFG INSIDE SPHERE 2: -17.535648 UP TO R = 2.3400000 0 TOTAL CHARGE INSIDE SPHERE 3: 5.418090 :PCS003: PARTIAL CHARGES SPHERE = 3 S,P,D,F,PX,PY,PZ,D-Z2,D-X2Y2,D-XY,D-XZ,D-YZ :QTL003: 1.6297 3.7634 0.0190 0.0044 1.2015 1.2997 1.2622 0.0026 0.0051 0.0048 0.0048 0.0017 Q-s-low E-s-low Q-p-low E-p-low Q-d-low E-d-low Q-f-low E-f-low :EPL003: 1.5957 -0.6230 0.0341 -0.5155 0.0029 -0.8919 0.0005 -1.7435 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: 0.0340 0.5393 3.7293 0.4554 0.0162 0.5265 0.0039 0.4709 VXX VYY VZZ UP TO R :VZZ003: 4.88680 -3.98634 -0.90047 1.670 0 TOTAL CHARGE INSIDE SPHERE 4: 5.305257 :PCS004: PARTIAL CHARGES SPHERE = 4 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ :QTL004: 1.6384 3.6597 0.0061 0.0009 1.2557 2.4040 0.0000 0.0032 0.0009 0.0003 0.0017 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 :EPL004: 1.6238 -0.5367 0.0404 -0.4515 0.0029 -0.5179 0.0005 -0.5531 Q-s-hi E-s-hi Q-p-hi E-p-hi Q-d-hi E-d-hi Q-f-hi E-f-hi :EPH004: 0.0146 0.4939 3.6193 0.4694 0.0032 0.5073 0.0004 0.5030 EFG INSIDE SPHERE 4: -2.903331 UP TO R = 1.6700000 atpar (cpu,wall): 0.0 0.0 readvec (cpu,wall): 0.0 0.0 readvec, read only (cpu,wall): 0.0 0.0 blocked loop (cpu): 0.0 0.1 reduced (cpu): 0.0 0.0 ilm-tot loop (cpu): 0.1 0.1 ilm-1 loop (cpu): 0.0 ilm-2 loop (cpu): 0.1 ilm-3 loop (cpu): 0.0 write-clm (cpu,wall): 0.0 0.0 write-scf (cpu,wall): 0.0 0.0 write-efg (cpu,wakk): 0.0 0.0 write (cpu,wall): 0.0 0.0 dmft renorm-overlap(cpu,wall): 0.3 0.3 dmft chemical pot (cpu,wall): 5.6 5.9 dmft transformation(cpu,wall): 0.0 0.0 dmft exact-diag (cpu,wall): 1.3 1.3 interstitial charge(cpu,wall): 0.1 0.1 :CHA : TOTAL CHARGE INSIDE UNIT CELL = 63.001071 SUM OF EIGENVALUES: -27.157978 LDA sum of eigenvalues= -0.210586338323393 1400 FOURIER COEFFICIENTS CALCULATED LARGEST COMPONENTS: 5 5 17 =====>>> CPU TIME SUMMARY TOTAL : 9.8 ... 100. PERCENT PART FERMI : 0.1 ... 1. PERCENT PART CLM : 9.7 ... 99. PERCENT PART FOURIR : 0.0 ... 0. PERCENT =====>>> WALL TIME SUMMARY TOTAL : ******** ... 100. PERCENT PART FERMI : 0.1 ... 0. PERCENT PART CLM : ******** ... 100. PERCENT PART FOURIR : 0.0 ... 0. PERCENT