├── .gitattributes ├── README.md └── assets ├── NEB run ├── README.md └── run1 │ ├── 00 │ ├── OUTCAR.gz │ ├── POSCAR │ ├── POSCAR.vasp │ └── POSCAR.xyz │ ├── 01 │ ├── CHG │ ├── CHGCAR │ ├── CONTCAR │ ├── DOSCAR │ ├── EIGENVAL │ ├── IBZKPT │ ├── OSZICAR │ ├── OUTCAR.gz │ ├── PCDAT │ ├── POSCAR │ ├── POSCAR.vasp │ ├── POSCAR.xyz │ ├── REPORT │ ├── WAVECAR │ ├── XDATCAR │ └── fe.dat │ ├── 02 │ ├── CHG │ ├── CHGCAR │ ├── CONTCAR │ ├── DOSCAR │ ├── EIGENVAL │ ├── IBZKPT │ ├── OSZICAR │ ├── OUTCAR.gz │ ├── PCDAT │ ├── POSCAR │ ├── POSCAR.vasp │ ├── POSCAR.xyz │ ├── REPORT │ ├── WAVECAR │ ├── XDATCAR │ ├── fe.dat │ └── stdout │ ├── 03 │ ├── CHG │ ├── CHGCAR │ ├── CONTCAR │ ├── DOSCAR │ ├── EIGENVAL │ ├── IBZKPT │ ├── OSZICAR │ ├── OUTCAR.gz │ ├── PCDAT │ ├── POSCAR │ ├── POSCAR.vasp │ ├── POSCAR.xyz │ ├── REPORT │ ├── WAVECAR │ ├── XDATCAR │ ├── fe.dat │ └── stdout │ ├── 04 │ ├── CHG │ ├── CHGCAR │ ├── CONTCAR │ ├── DOSCAR │ ├── EIGENVAL │ ├── IBZKPT │ ├── OSZICAR │ ├── OUTCAR.gz │ ├── PCDAT │ ├── POSCAR │ ├── POSCAR.vasp │ ├── POSCAR.xyz │ ├── REPORT │ ├── WAVECAR │ ├── XDATCAR │ ├── fe.dat │ └── stdout │ ├── 05 │ ├── CHG │ ├── CHGCAR │ ├── CONTCAR │ ├── DOSCAR │ ├── EIGENVAL │ ├── IBZKPT │ ├── OSZICAR │ ├── OUTCAR.gz │ ├── PCDAT │ ├── POSCAR │ ├── POSCAR.vasp │ ├── POSCAR.xyz │ ├── REPORT │ ├── WAVECAR │ ├── XDATCAR │ ├── fe.dat │ └── stdout │ ├── 06 │ ├── OUTCAR.gz │ ├── POSCAR │ ├── POSCAR.vasp │ └── POSCAR.xyz │ ├── INCAR │ ├── KPOINTS │ ├── exts.dat │ ├── mep.eps │ ├── mep.png │ ├── movie │ ├── movie.vasp │ ├── neb.dat │ ├── nebef.dat │ ├── spline.dat │ └── vasprun.xml └── vibrational frequency ├── 02 ├── CHG ├── CHGCAR ├── CONTCAR ├── DOSCAR ├── DYNMAT ├── EIGENVAL ├── IBZKPT ├── INCAR ├── KPOINTS ├── NEB.sh ├── OSZICAR ├── OUTCAR ├── PCDAT ├── POSCAR ├── POSCAR.vasp ├── POSCAR.xyz ├── REPORT ├── WAVECAR ├── XDATCAR ├── fe.dat ├── slurm-347752.out ├── stdout └── vasprun.xml ├── 05 ├── CHG ├── CHGCAR ├── CONTCAR ├── DOSCAR ├── DYNMAT ├── EIGENVAL ├── IBZKPT ├── INCAR 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