███╗ ███╗ █████╗ ██████╗ ███╗ ██╗ ██████╗ ██████╗ ██╗ ██╗ ████╗ ████║ ██╔══██╗ ██╔════╝ ████╗ ██║ ██╔═══██╗ ██╔══██╗ ╚██╗ ██╔╝ ██╔████╔██║ ███████║ ██║ ███╗ ██╔██╗ ██║ ██║ ██║ ██████╔╝ ╚████╔╝ ██║╚██╔╝██║ ██╔══██║ ██║ ╚██║ ██║╚██╗██║ ██║ ██║ ██╔═══╝ ╚██╔╝ ██║ ╚═╝ ██║ ██║ ██║ ╚██████╔╝ ██║ ╚████║ ╚██████╔╝ ██║ ██║ ╚═╝ ╚═╝ ╚═╝ ╚═╝ ╚═════╝ ╚═╝ ╚═══╝ ╚═════╝ ╚═╝ ╚═╝ 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 23:5:24 ▀▀▀▀▀▀▀▀ ======================================== Comment ========================================= Source of the parameters is "GROGU". Loaded parameters of the spin Hamiltonian from the file ../reference-CrI3_U.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 -88.1063498 87.7789141 5.1416245 2 -103.9538314 15.8474816 6.2738468 3 -113.7797337 9.8259023 7.1517646 4 -113.8118713 0.0321376 7.1090702 5 -113.9146743 0.1028030 6.5313939 6 -132.5552215 18.6405472 7.6293599 7 -132.5614265 0.0062050 7.6291716 8 -143.3643208 10.8028943 7.0727526 9 -157.6589985 14.2946777 5.7441364 10 -169.4438976 11.7848991 6.1242945 11 -179.2375492 9.7936515 5.4218928 12 -184.1951801 4.9576309 5.8100067 13 -190.8268698 6.6316897 6.7091858 14 -193.9005384 3.0736686 7.0099492 15 -194.4637302 0.5631918 6.9723641 16 -211.1028483 16.6391181 8.1844519 17 -216.9774974 5.8746491 8.9653802 18 -222.9143706 5.9368733 8.0070200 19 -225.0913084 2.1769378 8.4820429 20 -227.3892169 2.2979086 8.3550406 21 -228.4764954 1.0872785 8.1014161 22 -231.4005577 2.9240623 8.0019089 23 -233.8565528 2.4559952 6.0285177 24 -240.2592792 6.4027264 5.4650804 25 -241.5996739 1.3403947 4.7431610 26 -242.6404501 1.0407762 3.5476930 27 -243.4107614 0.7703113 2.6392943 28 -243.8926974 0.4819360 2.7118304 29 -244.4987722 0.6060748 2.6186189 30 -245.0825790 0.5838068 2.4613217 31 -245.7842943 0.7017152 2.1353627 32 -246.5076338 0.7233395 2.0528829 33 -247.0952353 0.5876015 1.8379974 34 -247.4814709 0.3862357 1.7992759 35 -247.7007906 0.2193197 1.6413301 36 -247.8528931 0.1521024 1.5549555 37 -247.9548487 0.1019556 1.5175314 38 -248.0807926 0.1259440 1.5294879 39 -248.4358588 0.3550661 1.3838267 40 -248.7620290 0.3261703 1.2646374 41 -248.9362549 0.1742258 1.1514902 42 -249.0923526 0.1560977 1.0332381 43 -249.1992717 0.1069192 0.9094822 44 -249.2630411 0.0637693 0.8705097 45 -249.2982534 0.0352123 0.8285366 46 -249.3121582 0.0139049 0.8074731 47 -249.3751535 0.0629952 0.8878485 48 -249.4205452 0.0453918 0.8294750 49 -249.4824146 0.0618694 0.7538415 50 -249.5992799 0.1168652 0.5582515 51 -249.6903890 0.0911091 0.4799025 52 -249.7523008 0.0619118 0.4116223 53 -249.7701132 0.0178124 0.4071493 54 -249.7832048 0.0130917 0.3872508 55 -249.7930388 0.0098339 0.3800622 56 -249.8027400 0.0097012 0.3893428 57 -249.8143082 0.0115682 0.4033573 58 -249.8304151 0.0161069 0.4007346 59 -249.8544095 0.0239944 0.3976090 60 -249.8869271 0.0325175 0.3663738 61 -249.9229021 0.0359750 0.3280712 62 -249.9528429 0.0299408 0.2884880 63 -249.9718081 0.0189652 0.3381480 64 -249.9814339 0.0096258 0.3489311 65 -249.9846137 0.0031798 0.3759346 66 -249.9943125 0.0096988 0.3684859 67 -250.0010373 0.0067248 0.3690473 68 -250.0176961 0.0166588 0.3385340 69 -250.0412889 0.0235928 0.3231068 70 -250.0689598 0.0276709 0.2862968 71 -250.0949401 0.0259804 0.3075244 72 -250.1137097 0.0187696 0.3283313 73 -250.1232303 0.0095206 0.3235724 74 -250.1286323 0.0054020 0.3234626 75 -250.1317897 0.0031573 0.3115318 76 -250.1344260 0.0026363 0.3064484 77 -250.1373081 0.0028821 0.2908399 78 -250.1421071 0.0047991 0.2739882 79 -250.1479603 0.0058532 0.2392762 80 -250.1603315 0.0123712 0.2248851 81 -250.1691174 0.0087859 0.2145150 82 -250.1798624 0.0107450 0.1932110 83 -250.1850625 0.0052001 0.1842973 84 -250.1876492 0.0025867 0.1948350 85 -250.1890896 0.0014404 0.2036721 86 -250.1902856 0.0011960 0.2122728 87 -250.1916521 0.0013665 0.2157454 88 -250.1934997 0.0018476 0.2127189 89 -250.1965994 0.0030997 0.1992316 90 -250.2006723 0.0040729 0.1715354 91 -250.2050151 0.0043429 0.1154538 92 -250.2094299 0.0044148 0.0910158 93 -250.2109222 0.0014923 0.0869593 94 -250.2119529 0.0010306 0.0821871 95 -250.2124381 0.0004852 0.0818994 96 -250.2127070 0.0002689 0.0788701 97 -250.2129128 0.0002058 0.0776245 98 -250.2131267 0.0002139 0.0735840 99 -250.2133925 0.0002658 0.0700508 100 -250.2137549 0.0003624 0.0647709 101 -250.2142321 0.0004771 0.0596051 102 -250.2147844 0.0005523 0.0501802 103 -250.2152647 0.0004804 0.0435854 104 -250.2155743 0.0003095 0.0370079 105 -250.2157361 0.0001618 0.0323851 106 -250.2158141 0.0000780 0.0299283 107 -250.2158603 0.0000462 0.0304568 108 -250.2158956 0.0000353 0.0320671 109 -250.2159330 0.0000374 0.0320521 110 -250.2159829 0.0000499 0.0333313 111 -250.2160572 0.0000743 0.0322706 112 -250.2161678 0.0001106 0.0326988 113 -250.2163058 0.0001380 0.0294347 114 -250.2164359 0.0001301 0.0279782 115 -250.2165215 0.0000855 0.0241256 116 -250.2165647 0.0000433 0.0226316 117 -250.2165855 0.0000208 0.0204283 118 -250.2165968 0.0000114 0.0195599 119 -250.2166054 0.0000085 0.0180659 120 -250.2166143 0.0000089 0.0172860 121 -250.2166260 0.0000117 0.0155448 122 -250.2166430 0.0000170 0.0144846 123 -250.2166662 0.0000232 0.0124121 124 -250.2166923 0.0000261 0.0113680 125 -250.2167134 0.0000212 0.0094520 126 -250.2167259 0.0000124 0.0093306 127 -250.2167318 0.0000060 0.0093667 128 -250.2167347 0.0000029 0.0092618 129 -250.2167365 0.0000017 0.0091925 130 -250.2167380 0.0000015 0.0089860 131 -250.2167397 0.0000018 0.0087542 132 -250.2167423 0.0000026 0.0082292 133 -250.2167462 0.0000039 0.0075189 134 -250.2167519 0.0000057 0.0062370 135 -250.2167583 0.0000064 0.0048174 136 -250.2167635 0.0000052 0.0039367 137 -250.2167664 0.0000030 0.0032762 138 -250.2167679 0.0000014 0.0031278 139 -250.2167686 0.0000007 0.0028348 140 -250.2167690 0.0000004 0.0027545 141 -250.2167694 0.0000004 0.0027759 142 -250.2167699 0.0000005 0.0026640 143 -250.2167705 0.0000006 0.0027448 144 -250.2167715 0.0000009 0.0023668 145 -250.2167726 0.0000011 0.0022113 146 -250.2167737 0.0000011 0.0015857 147 -250.2167744 0.0000007 0.0013186 148 -250.2167747 0.0000003 0.0010350 149 -250.2167748 0.0000001 0.0010243 150 -250.2167749 0.0000001 0.0009918 151 -250.2167750 0.0000000 0.0009765 152 -250.2167750 0.0000000 0.0009333 153 -250.2167750 0.0000000 0.0008951 154 -250.2167750 0.0000000 0.0008047 155 -250.2167751 0.0000001 0.0007624 156 -250.2167752 0.0000001 0.0006026 157 -250.2167752 0.0000001 0.0004991 158 -250.2167753 0.0000001 0.0003048 159 -250.2167753 0.0000000 0.0002565 160 -250.2167753 0.0000000 0.0002069 161 -250.2167753 0.0000000 0.0001982 162 -250.2167753 0.0000000 0.0002047 163 -250.2167753 0.0000000 0.0001970 164 -250.2167753 0.0000000 0.0001980 165 -250.2167754 0.0000000 0.0001839 166 -250.2167754 0.0000000 0.0001767 167 -250.2167754 0.0000000 0.0001456 168 -250.2167754 0.0000000 0.0001224 169 -250.2167754 0.0000000 0.0000931 170 -250.2167754 0.0000000 0.0000776 171 -250.2167754 0.0000000 0.0000799 172 -250.2167754 0.0000000 0.0000762 173 -250.2167754 0.0000000 0.0000792 174 -250.2167754 0.0000000 0.0000753 175 -250.2167754 0.0000000 0.0000758 176 -250.2167754 0.0000000 0.0000730 177 -250.2167754 0.0000000 0.0000693 178 -250.2167754 0.0000000 0.0000637 179 -250.2167754 0.0000000 0.0000560 180 -250.2167754 0.0000000 0.0000430 181 -250.2167754 0.0000000 0.0000377 182 -250.2167754 0.0000000 0.0000296 183 -250.2167754 0.0000000 0.0000267 184 -250.2167754 0.0000000 0.0000227 185 -250.2167754 0.0000000 0.0000210 186 -250.2167754 0.0000000 0.0000198 187 -250.2167754 0.0000000 0.0000187 188 -250.2167754 0.0000000 0.0000173 189 -250.2167754 0.0000000 0.0000167 190 -250.2167754 0.0000000 0.0000134 191 -250.2167754 0.0000000 0.0000112 192 -250.2167754 0.0000000 0.0000079 ─────────────────────────────────────────────── Optimization is done. Classic ground state energy (E_0) is -250.216775 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 ========================================