├── .gitignore ├── .gitmodules ├── .vscode └── settings.json ├── LICENSE ├── README.md ├── images └── algo.png ├── install.sh ├── jupyter ├── debug.ipynb ├── new_status_check.ipynb └── pymatgen_structures.ipynb ├── requirements.txt ├── src ├── conv_tests.py ├── curie_calculator.py ├── file_builder.py ├── linear_response.py ├── mc_create_run.py ├── mc_post_process.py ├── old_src │ ├── cleaner.py │ ├── curie_calculator.py │ ├── main_plotter.py │ ├── main_runner.py │ ├── plotter.py │ ├── solver.py │ └── status_check.py ├── read_input.py ├── solver.py ├── stat_file_builder.py ├── swaper.py └── variables.py └── tests ├── CurieTemperature ├── Co │ ├── INPUT │ ├── POSCAR │ ├── encut │ │ ├── 400 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 420 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 440 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 460 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 480 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 500 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 520 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 540 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 560 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 580 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 600 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 620 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 640 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 660 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 680 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 700 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 720 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 740 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 760 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ └── 780 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ ├── jobscript.sh │ ├── kpoints │ │ ├── 20 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 30 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 40 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 50 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 60 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ └── 70 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ ├── log │ ├── output │ │ ├── E_cut_opt.pdf │ │ ├── E_tot_plot.pdf │ │ ├── E_tot_plot.png │ │ ├── J_least_sq.png │ │ ├── OUTPUT.txt │ │ └── Tcs_plot.png │ ├── siman_inputs │ │ ├── POSCAR_afm1 │ │ ├── POSCAR_afm2 │ │ ├── POSCAR_afm3 │ │ ├── POSCAR_afm4 │ │ ├── POSCAR_afm5 │ │ └── POSCAR_fm0 │ └── vasp_inputs │ │ ├── afm1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm2 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm3 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm4 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm5 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ └── fm0 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log ├── Eu │ ├── INPUT │ ├── POSCAR │ ├── encut │ │ ├── 400 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 420 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 440 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 460 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 480 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 500 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 520 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 540 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 560 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 580 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 600 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 620 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 640 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 660 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ └── 680 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ ├── jobscript.sh │ ├── kpoints │ │ ├── 20 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 30 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 40 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 50 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 60 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ └── 70 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ ├── log │ ├── output │ │ ├── E_tot_plot.png │ │ ├── J_exact.png │ │ ├── J_least_sq.png │ │ ├── K_grid_opt.pdf │ │ ├── OUTPUT.txt │ │ ├── Tcs_plot.pdf │ │ └── Tcs_plot.png │ ├── siman_inputs │ │ ├── POSCAR_afm1 │ │ ├── POSCAR_afm2 │ │ ├── POSCAR_afm3 │ │ ├── POSCAR_afm4 │ │ └── POSCAR_fm0 │ └── vasp_inputs │ │ ├── afm1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm2 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm3 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm4 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ └── fm0 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log ├── EuO │ ├── INPUT │ ├── POSCAR │ ├── encut │ │ ├── 400 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 420 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 440 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 460 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 480 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 500 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 520 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 540 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 560 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 580 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 600 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 620 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 640 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 660 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ └── 680 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ ├── jobscript.sh │ ├── kpoints │ │ ├── 20 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 30 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 40 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 50 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 60 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ └── 70 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ ├── log │ ├── output │ │ ├── E_cut_opt.pdf │ │ ├── E_tot_plot.pdf │ │ ├── E_tot_plot.png │ │ ├── J_exact.png │ │ ├── J_least_sq.png │ │ ├── K_grid_opt.pdf │ │ ├── OUTPUT.txt │ │ ├── Tcs_plot.pdf │ │ └── Tcs_plot.png │ ├── siman_inputs │ │ ├── POSCAR_afm1 │ │ ├── POSCAR_afm2 │ │ ├── POSCAR_afm3 │ │ ├── POSCAR_afm4 │ │ ├── POSCAR_afm5 │ │ ├── POSCAR_afm6 │ │ ├── POSCAR_afm7 │ │ └── POSCAR_fm0 │ └── vasp_inputs │ │ ├── afm1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm2 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm3 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm4 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm5 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm6 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm7 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ └── fm0 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log ├── EuS │ ├── INPUT │ ├── POSCAR │ ├── encut │ │ ├── 400 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 420 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 440 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 460 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 480 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 500 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 520 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 540 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 560 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 580 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 600 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 620 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 640 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 660 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ └── 680 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ ├── jobscript.sh │ ├── kpoints │ │ ├── 20 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 30 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 40 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 50 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ ├── 60 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ │ └── 70 │ │ │ ├── INCAR │ │ │ ├── KPOINTS │ │ │ ├── OSZICAR │ │ │ ├── POSCAR │ │ │ ├── jobscript.sh │ │ │ └── log │ ├── log │ ├── output │ │ ├── E_cut_opt.pdf │ │ ├── E_tot_plot.png │ │ ├── J_exact.png │ │ ├── J_least_sq.png │ │ ├── K_grid_opt.pdf │ │ ├── OUTPUT.txt │ │ └── Tcs_plot.png │ ├── siman_inputs │ │ ├── POSCAR_afm1 │ │ ├── POSCAR_afm2 │ │ ├── POSCAR_afm3 │ │ ├── POSCAR_afm4 │ │ ├── POSCAR_afm5 │ │ ├── POSCAR_afm6 │ │ ├── POSCAR_afm7 │ │ └── POSCAR_fm0 │ └── vasp_inputs │ │ ├── afm1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm2 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm3 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm4 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm5 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm6 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm7 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ └── fm0 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log ├── Fe │ ├── INPUT │ ├── POSCAR │ ├── jobscript.sh │ ├── monte_carlo │ │ ├── input │ │ ├── jobscript.sh │ │ ├── log │ │ ├── output │ │ ├── structure.mat │ │ └── structure.ucf │ ├── output │ │ ├── E_tot_plot.png │ │ ├── J_exact.png │ │ ├── J_least_sq.png │ │ ├── MT_curve.png │ │ ├── OUTPUT.txt │ │ └── Tcs_plot.png │ ├── siman_inputs │ │ ├── POSCAR_afm1 │ │ ├── POSCAR_afm2 │ │ ├── POSCAR_afm3 │ │ ├── POSCAR_afm4 │ │ ├── POSCAR_afm5 │ │ ├── POSCAR_afm6 │ │ ├── POSCAR_afm7 │ │ └── POSCAR_fm0 │ └── vasp_inputs │ │ ├── afm1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm2 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm3 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm5 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm6 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm7 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ └── fm0 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log ├── Fe2O3 │ ├── INPUT │ ├── POSCAR │ ├── jobscript.sh │ ├── log │ ├── monte_carlo │ │ ├── input │ │ ├── jobscript.sh │ │ ├── log │ │ ├── output │ │ ├── structure.mat │ │ └── structure.ucf │ ├── output │ │ ├── E_tot_plot.png │ │ ├── J_exact.png │ │ ├── J_least_sq.png │ │ ├── MT_curve.png │ │ ├── OUTPUT.txt │ │ └── Tcs_plot.png │ ├── siman_inputs │ │ ├── POSCAR_afm1 │ │ ├── POSCAR_afm2 │ │ ├── POSCAR_afm3 │ │ └── POSCAR_fm0 │ └── vasp_inputs │ │ ├── afm1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm2 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm3 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ └── fm0 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log ├── Fe2O3_2 │ ├── INPUT │ ├── POSCAR │ ├── jobscript.sh │ ├── log │ ├── monte_carlo │ │ ├── input │ │ ├── jobscript.sh │ │ ├── log │ │ ├── output │ │ ├── structure.mat │ │ └── structure.ucf │ ├── output │ │ ├── E_tot_plot.png │ │ ├── J_exact.png │ │ ├── J_least_sq.png │ │ ├── MT_curve.png │ │ ├── OUTPUT.txt │ │ └── Tcs_plot.png │ ├── siman_inputs │ │ ├── POSCAR_afm1 │ │ ├── POSCAR_afm2 │ │ ├── POSCAR_afm3 │ │ └── POSCAR_fm0 │ └── vasp_inputs │ │ ├── afm1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm2 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm3 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ └── fm0 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log ├── Gd │ ├── INPUT │ ├── POSCAR │ ├── jobscript.sh │ ├── log │ ├── output │ │ ├── E_tot_plot.png │ │ ├── J_exact.png │ │ ├── J_least_sq.png │ │ ├── OUTPUT.txt │ │ └── Tcs_plot.png │ ├── siman_inputs │ │ ├── POSCAR_afm1 │ │ ├── POSCAR_afm2 │ │ ├── POSCAR_afm3 │ │ ├── POSCAR_afm4 │ │ ├── POSCAR_afm5 │ │ └── POSCAR_fm0 │ └── vasp_inputs │ │ ├── afm1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm2 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm3 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm4 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ ├── afm5 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ │ └── fm0 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log └── Ni │ ├── INPUT │ ├── POSCAR │ ├── jobscript.sh │ ├── log │ ├── output │ ├── E_tot_plot.png │ ├── J_exact.png │ ├── J_least_sq.png │ ├── OUTPUT.txt │ └── Tcs_plot.png │ ├── siman_inputs │ ├── POSCAR_afm1 │ ├── POSCAR_afm2 │ ├── POSCAR_afm3 │ ├── POSCAR_afm4 │ ├── POSCAR_afm5 │ ├── POSCAR_afm6 │ ├── POSCAR_afm7 │ └── POSCAR_fm0 │ └── vasp_inputs │ ├── afm1 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log │ ├── afm2 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log │ ├── afm3 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log │ ├── afm4 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log │ ├── afm5 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log │ ├── afm6 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log │ ├── afm7 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log │ └── fm0 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log └── LinearResponse ├── Co ├── CalcFold │ ├── nscf_-0.05 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_-0.1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_-0.15 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_-0.2 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_0.05 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_0.1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_0.15 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_0.2 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── relax │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_-0.05 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_-0.1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_-0.15 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_-0.2 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_0.05 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_0.1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_0.15 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ └── scf_0.2 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log ├── POSCAR └── output │ └── E_tot_plot.png ├── Fe ├── CalcFold │ ├── nscf_-0.05 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_-0.1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_0.05 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_0.1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── relax │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_-0.05 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_-0.1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_0.05 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ └── scf_0.1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log ├── POSCAR ├── jobscript.sh └── output │ └── E_tot_plot.png ├── Ni ├── CalcFold │ ├── nscf_-0.05 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_-0.1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_-0.15 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_-0.2 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_0.05 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_0.1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_0.15 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── nscf_0.2 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── relax │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_-0.05 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_-0.1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_-0.15 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_-0.2 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_0.05 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_0.1 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ ├── scf_0.15 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log │ └── scf_0.2 │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── OSZICAR │ │ ├── POSCAR │ │ ├── jobscript.sh │ │ └── log ├── POSCAR ├── jobscript.sh ├── log └── output │ └── E_tot_plot.png └── NiO ├── CalcFold ├── nscf_-0.05 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log ├── nscf_-0.1 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log ├── nscf_-0.15 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log ├── nscf_-0.2 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log ├── nscf_0.05 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log ├── nscf_0.1 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log ├── nscf_0.15 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log ├── nscf_0.2 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log ├── relax │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log ├── scf_-0.05 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log ├── scf_-0.1 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log ├── scf_-0.15 │ ├── INCAR │ ├── KPOINTS │ ├── OSZICAR │ ├── POSCAR │ ├── jobscript.sh │ └── log ├── scf_-0.2 │ ├── INCAR │ ├── KPOINTS │ ├── 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