███╗ ███╗ █████╗ ██████╗ ███╗ ██╗ ██████╗ ██████╗ ██╗ ██╗ ████╗ ████║ ██╔══██╗ ██╔════╝ ████╗ ██║ ██╔═══██╗ ██╔══██╗ ╚██╗ ██╔╝ ██╔████╔██║ ███████║ ██║ ███╗ ██╔██╗ ██║ ██║ ██║ ██████╔╝ ╚████╔╝ ██║╚██╔╝██║ ██╔══██║ ██║ ╚██║ ██║╚██╗██║ ██║ ██║ ██╔═══╝ ╚██╔╝ ██║ ╚═╝ ██║ ██║ ██║ ╚██████╔╝ ██║ ╚████║ ╚██████╔╝ ██║ ██║ ╚═╝ ╚═╝ ╚═╝ ╚═╝ ╚═════╝ ╚═╝ ╚═══╝ ╚═════╝ ╚═╝ ╚═╝ Version: 0.2.0 ▄ ▄ Documentation: magnopy.org █▀█▀█ Release date: 10 September 2025 █▄█▄█ License: GNU GPLv3 ███ ▄▄ Copyright (C) 2023-2025 Magnopy Team ████ █ █ ████ █ Generated on 9 September 2025 at 23:4:55 ▀▀▀▀▀▀▀▀ ======================================== Comment ========================================= Source of the parameters is "GROGU". Loaded parameters of the spin Hamiltonian from the file ../reference-CrI3.txt. =================================== Start optimization =================================== Energy tolerance : 1.00000e-05 Torque tolerance : 1.00000e-05 Minimizing on the supercell of 5 x 5 x 1 unit cells. Spin directions of the initial guess are saved in file optimize-sd-5-5-1/INITIAL_GUESS.TXT ─────┬─────────────┬─────────────┬───────────── step │ E_0 │ delta E_0 │ max torque ─────┴─────────────┴─────────────┴───────────── 1 -4.2997262 21.7614347 6.7134939 2 -27.1825148 22.8827885 6.0206569 3 -35.3617801 8.1792653 6.0162225 4 -42.5621347 7.2003546 5.4268267 5 -56.0045195 13.4423848 6.3370665 6 -56.0045252 0.0000058 6.3362432 7 -87.6407002 31.6361749 5.7593768 8 -88.3563889 0.7156888 5.7846429 9 -100.1739820 11.8175931 5.1211304 10 -101.5796831 1.4057011 6.0596057 11 -101.7786546 0.1989715 6.0549243 12 -127.7228404 25.9441858 5.0631266 13 -132.4215392 4.6986988 5.0142450 14 -137.1066148 4.6850756 5.2603847 15 -147.5717663 10.4651515 5.6721924 16 -147.6662350 0.0944687 5.6766814 17 -151.9083924 4.2421574 6.7697215 18 -154.2579507 2.3495583 6.7172453 19 -159.2432655 4.9853149 6.0665398 20 -164.9741854 5.7309199 5.0560574 21 -167.8412794 2.8670940 3.7208655 22 -169.4036213 1.5623418 3.1167707 23 -169.8335485 0.4299273 3.0705308 24 -170.8796833 1.0461348 3.2646862 25 -171.4113740 0.5316907 3.1585270 26 -172.1112883 0.6999142 3.0911572 27 -173.4911334 1.3798451 2.7333877 28 -174.6061828 1.1150494 2.6027866 29 -175.3524362 0.7462534 2.3880930 30 -175.8415877 0.4891515 2.3299883 31 -176.0791719 0.2375842 2.3738489 32 -176.2771838 0.1980119 2.2959737 33 -176.4674301 0.1902463 2.3051216 34 -176.6391920 0.1717620 2.1853904 35 -176.8885296 0.2493376 2.1508827 36 -177.2004611 0.3119315 2.0949046 37 -177.5092586 0.3087975 1.8800318 38 -177.7966405 0.2873819 2.0695870 39 -178.3346456 0.5380051 1.8937316 40 -178.5626929 0.2280474 1.8757025 41 -178.7126409 0.1499480 1.7026264 42 -178.7712684 0.0586275 1.7245089 43 -178.8986248 0.1273564 1.5667002 44 -179.0461777 0.1475528 1.4295406 45 -179.4005426 0.3543649 1.3790892 46 -179.6358889 0.2353463 1.3464535 47 -179.6922946 0.0564057 1.1781532 48 -179.8324384 0.1401438 1.1246187 49 -179.8532105 0.0207721 1.0308996 50 -179.9732242 0.1200138 1.0010584 51 -180.1957284 0.2225041 0.8209580 52 -180.3671625 0.1714342 0.7240895 53 -180.4624182 0.0952557 0.6155472 54 -180.5189313 0.0565131 0.6135685 55 -180.5372850 0.0183537 0.5642690 56 -180.5578052 0.0205202 0.5568032 57 -180.5799319 0.0221267 0.4846338 58 -180.6039213 0.0239894 0.4549710 59 -180.6268547 0.0229333 0.3626663 60 -180.6502752 0.0234206 0.3180725 61 -180.6722607 0.0219855 0.2954520 62 -180.6905591 0.0182984 0.2522672 63 -180.7032956 0.0127365 0.2665947 64 -180.7108576 0.0075621 0.2702812 65 -180.7153394 0.0044817 0.2731192 66 -180.7195702 0.0042308 0.2666394 67 -180.7226838 0.0031137 0.2569368 68 -180.7281837 0.0054998 0.2298264 69 -180.7342166 0.0060329 0.2198324 70 -180.7432580 0.0090414 0.1876137 71 -180.7477284 0.0044703 0.1650126 72 -180.7522177 0.0044893 0.1274855 73 -180.7548154 0.0025977 0.1180502 74 -180.7559506 0.0011352 0.1150879 75 -180.7571462 0.0011956 0.1101553 76 -180.7586611 0.0015149 0.1163565 77 -180.7603627 0.0017016 0.1055264 78 -180.7626657 0.0023029 0.1048425 79 -180.7649908 0.0023251 0.0819246 80 -180.7669288 0.0019380 0.0804529 81 -180.7680436 0.0011148 0.0861852 82 -180.7687120 0.0006684 0.0862051 83 -180.7691216 0.0004096 0.0863792 84 -180.7694545 0.0003329 0.0842005 85 -180.7697885 0.0003340 0.0819499 86 -180.7702138 0.0004253 0.0770479 87 -180.7707790 0.0005652 0.0704376 88 -180.7715245 0.0007455 0.0596544 89 -180.7723180 0.0007935 0.0471583 90 -180.7730057 0.0006877 0.0438185 91 -180.7734429 0.0004373 0.0381752 92 -180.7737124 0.0002695 0.0366832 93 -180.7738838 0.0001714 0.0360071 94 -180.7740261 0.0001423 0.0333357 95 -180.7741792 0.0001531 0.0340281 96 -180.7743762 0.0001969 0.0302193 97 -180.7746346 0.0002584 0.0305531 98 -180.7749401 0.0003056 0.0261120 99 -180.7752209 0.0002807 0.0230898 100 -180.7754084 0.0001875 0.0173134 101 -180.7755104 0.0001020 0.0140525 102 -180.7755576 0.0000473 0.0132595 103 -180.7755830 0.0000254 0.0142076 104 -180.7755995 0.0000165 0.0138104 105 -180.7756143 0.0000148 0.0138754 106 -180.7756307 0.0000164 0.0126569 107 -180.7756506 0.0000200 0.0116430 108 -180.7756735 0.0000228 0.0091258 109 -180.7756947 0.0000212 0.0070447 110 -180.7757095 0.0000149 0.0050026 111 -180.7757176 0.0000080 0.0043280 112 -180.7757214 0.0000038 0.0040115 113 -180.7757233 0.0000019 0.0037404 114 -180.7757246 0.0000012 0.0034885 115 -180.7757256 0.0000011 0.0033980 116 -180.7757268 0.0000012 0.0032550 117 -180.7757282 0.0000014 0.0030433 118 -180.7757298 0.0000016 0.0025086 119 -180.7757313 0.0000015 0.0019780 120 -180.7757324 0.0000011 0.0013242 121 -180.7757330 0.0000006 0.0009445 122 -180.7757333 0.0000003 0.0008980 123 -180.7757334 0.0000001 0.0009901 124 -180.7757335 0.0000001 0.0009788 125 -180.7757336 0.0000001 0.0009866 126 -180.7757337 0.0000001 0.0009017 127 -180.7757338 0.0000001 0.0008169 128 -180.7757339 0.0000001 0.0006253 129 -180.7757340 0.0000001 0.0004564 130 -180.7757341 0.0000001 0.0003825 131 -180.7757342 0.0000000 0.0003181 132 -180.7757342 0.0000000 0.0003165 133 -180.7757342 0.0000000 0.0002741 134 -180.7757342 0.0000000 0.0002699 135 -180.7757342 0.0000000 0.0002684 136 -180.7757342 0.0000000 0.0002505 137 -180.7757342 0.0000000 0.0002522 138 -180.7757342 0.0000000 0.0001978 139 -180.7757342 0.0000000 0.0001710 140 -180.7757343 0.0000000 0.0001210 141 -180.7757343 0.0000000 0.0001021 142 -180.7757343 0.0000000 0.0001005 143 -180.7757343 0.0000000 0.0000892 144 -180.7757343 0.0000000 0.0000876 145 -180.7757343 0.0000000 0.0000767 146 -180.7757343 0.0000000 0.0000731 147 -180.7757343 0.0000000 0.0000637 148 -180.7757343 0.0000000 0.0000584 149 -180.7757343 0.0000000 0.0000459 150 -180.7757343 0.0000000 0.0000346 151 -180.7757343 0.0000000 0.0000243 152 -180.7757343 0.0000000 0.0000257 153 -180.7757343 0.0000000 0.0000238 154 -180.7757343 0.0000000 0.0000246 155 -180.7757343 0.0000000 0.0000226 156 -180.7757343 0.0000000 0.0000224 157 -180.7757343 0.0000000 0.0000187 158 -180.7757343 0.0000000 0.0000171 159 -180.7757343 0.0000000 0.0000130 160 -180.7757343 0.0000000 0.0000104 161 -180.7757343 0.0000000 0.0000073 ─────────────────────────────────────────────── Optimization is done. Classic ground state energy (E_0) is -180.775734 meV Optimized spin directions are saved in file optimize-sd-5-5-1/SPIN_DIRECTIONS.txt Spin positions are saved in file optimize-sd-5-5-1/SPIN_POSITIONS.txt Image of spin directions is saved in file optimize-sd-5-5-1/SPIN_DIRECTIONS.html ======================================== Finished ========================================