├── 1. Phonon Participation Ratios ├── .ipynb_checkpoints │ └── Phonon Participation Ratios-checkpoint.ipynb ├── Phonon Participation Ratios.ipynb ├── defect_graphene │ ├── dos.out │ ├── run.in │ └── xyz.in ├── graphene_construct.py └── prsitine_graphene │ ├── dos.out │ ├── run.in │ └── xyz.in ├── 2. Elastic Constants Based on Strain Fluctuation Method ├── .ipynb_checkpoints │ └── Elastic Constants Based on Strain Fluctuation Method-checkpoint.ipynb ├── Elastic Constants Based on Strain Fluctuation Method.ipynb ├── create_xyz.m ├── run.in ├── thermo.out └── xyz.in ├── 3. Phonon Dispersion and Vibration Mode Visualization of Graphene ├── D.out ├── Eigenvector │ ├── basis.in │ ├── eigenvector.out │ ├── kpoints.in │ ├── run.in │ └── xyz.in ├── Phonon_39.73067THz_first_frame.data ├── Phonon_39.73067THz_second_frame.data ├── Phonon_Dispersion_&_Mode_Viewer.ipynb ├── basis.in ├── eigenvector - binary.out ├── eigenvector.out ├── gr_uc.vasp ├── graphene_construct.py ├── kpoints.in ├── lammps.data ├── omega2.out ├── run.in └── xyz.in ├── 4. Quantum-corrected thermal conductivity of amorphous carbon ├── Quantum-corrected thermal conductivity of amorphous carbon.ipynb ├── kappa.out ├── run.in ├── shc.out └── xyz.in ├── LICENSE └── README.md /1. Phonon Participation Ratios/.ipynb_checkpoints/Phonon Participation Ratios-checkpoint.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hityingph/Tutorial-on-atomic-simulations/HEAD/1. 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