======================================== Cell Angstroms 3.7910 0.0000 0.0000 -1.8955 3.2831 0.0000 0.0000 0.0000 20.5700 ======================================== Atom Angstrom # Label, x y z Sx Sy Sz #Q Lx Ly Lz Jx Jy Jz -------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Te1 1.8955 1.0943 13.1698 -0.0000 0.0000 -0.1543 # 5.9345 -0.0000 0.0000 -0.0537 -0.0000 0.0000 -0.2080 Te2 1.8955 1.0943 7.4002 0.0000 -0.0000 -0.1543 # 5.9345 0.0000 -0.0000 -0.0537 0.0000 -0.0000 -0.2080 Ge3 -0.0000 2.1887 10.2850 0.0000 0.0000 -0.1605 # 3.1927 -0.0000 0.0000 0.0012 0.0000 0.0000 -0.1593 Fe4 -0.0000 0.0000 11.6576 0.0001 -0.0001 2.0466 # 8.3044 0.0000 -0.0000 0.1606 0.0001 -0.0001 2.2072 Fe5 -0.0000 0.0000 8.9124 -0.0001 0.0001 2.0466 # 8.3044 -0.0000 0.0000 0.1606 -0.0001 0.0001 2.2072 Fe6 1.8955 1.0944 10.2850 0.0000 0.0000 1.5824 # 8.3296 -0.0000 -0.0000 0.0520 -0.0000 0.0000 1.6344 ================================================================================================================================== Exchange meV -------------------------------------------------------------------------------- # at1 at2 i j k # d (Ang) -------------------------------------------------------------------------------- Fe4 Fe5 0 0 0 # 2.7452 Isotropic -82.0854 DMI 0.12557 -0.00082199 6.9668e-08 Symmetric-anisotropy -0.60237 -0.83842 -0.00032278 -1.2166e-05 -3.3923e-05 -------------------------------------------------------------------------------- Fe4 Fe6 0 0 0 # 2.5835 Isotropic -41.9627 DMI 1.1205 -1.9532 0.0018386 Symmetric-anisotropy 0.26007 -0.00013243 0.12977 -0.069979 -0.042066 -------------------------------------------------------------------------------- Fe4 Fe4 1 0 0 # 3.791 Isotropic 11.3817 DMI -0.027065 5.0079 1.2495 Symmetric-anisotropy 0.25899 0.61356 0.00018352 -8.2489e-06 -0.059116 -------------------------------------------------------------------------------- Fe4 Fe5 1 0 0 # 4.6806 Isotropic -2.9464 DMI 1.7 0.0069825 6.4657 Symmetric-anisotropy 0.44323 0.056997 1.7739e-05 0.14942 1.077e-05 -------------------------------------------------------------------------------- Fe4 Fe6 1 0 0 # 5.9513 Isotropic -1.9722 DMI -0.044414 0.34777 0.55124 Symmetric-anisotropy 0.19364 -0.10179 -0.057654 0.023297 0.033722 -------------------------------------------------------------------------------- Fe4 Fe4 2 0 0 # 7.582 Isotropic -2.5085 DMI 0.015126 0.020638 -0.26104 Symmetric-anisotropy -0.145 -0.021424 6.948e-05 3.0356e-05 -0.18409 ================================================================================ On-site meV ---------------------------------------- Fe4 0.16339 0.16068 0 0 0 0 ======================================== # ----------------------GROGU INFORMATION---------------------- # Grogu calculation was performed with a k-grid equal to 100 100 1 # On-site Projection is performed over l = 2 # Original DFT calculation with quantization axis along the z direction Notation Double-counting true Spin-normalized true Exchange-factor 0.5 On-site-factor 1 ========================================