├── .gitignore ├── LICENSE ├── README.md ├── docs └── DeltaSpin_Manual.pdf ├── examples ├── insulator │ └── NiO │ │ ├── INCAR │ │ ├── KPOINTS │ │ ├── POSCAR │ │ └── POTCAR.spec └── metal │ └── Fe │ ├── INCAR │ ├── KPOINTS │ ├── POSCAR │ └── POTCAR.spec ├── scripts ├── duo_error.sh └── energy_force.sh └── templates ├── INCAR ├── submit.pbs ├── submit.sh └── submit.slurm /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/caizefeng/deltaspin/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/caizefeng/deltaspin/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 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