Preview

Quantum_transport_oxide
- MoS2
  - 1_scf
    - INCAR
      
      1.1 kB
    - KPOINTS
      
      44 Bytes
    - POSCAR
      
      4.6 kB
    - POTCAR
      
      842.1 kB
  - 2_bands
    - INCAR
      
      1.1 kB
    - KPOINTS
      
      3.2 kB
    - README
      
      49 Bytes
  - 3_wann_prep
    - INCAR
      
      1.0 kB
    - README
      
      50 Bytes
    - README~
      
      62 Bytes
    - wannier90.win
      
      47 Bytes
  - 4_wann_trans
    - README
      
      64 Bytes
    - wannier90.win
      
      5.6 kB
  - 5_winterface
    - README
      
      416 Bytes
    - winput
      
      1.9 kB
  - Derivatives
    - 1_scf
      - INCAR
        
        1.1 kB
      - KPOINTS
        
        44 Bytes
      - POSCAR
        
        4.6 kB
      - POTCAR
        
        842.1 kB
    - 3_wann_pre
      - INCAR
        
        1.0 kB
      - README
        
        63 Bytes
      - README~
        
        50 Bytes
      - wannier90.win
        
        47 Bytes
    - 4_make_hr
      - HYDROhr.inp
        
        138 Bytes
      - README
        
        72 Bytes
    - 5_winterface
      - README
        
        359 Bytes
      - winput
        
        1.9 kB
  - Phonons
    - 0_relax
      - MoS2_extract.inp
        
        5.5 kB
    - 1_displ
      - MoS2-extract.inp
        
        5.9 kB
      - phonopy_disp.yaml
        
        34.7 kB
      - setting.conf
        
        131 Bytes
    - 2_forces
      - FORCE_CONSTANTS
        
        5.1 MB
      - FORCE_SETS
        
        90.7 kB
      - band.conf
        
        182 Bytes
      - band.yaml
        
        248.9 kB
      - phonopy.yaml
        
        33.5 kB
    - 3_get_IFC_hr
      - README
        
        150 Bytes
      - get_hr_wout.py
        
        3.7 kB
    - README
      
      137 Bytes
  - Quantum_Transport_Simulations
    - pseudo_scatt
      - EPH_dat
        
        2.2 kB
      - MoS2.cmd
        
        7.9 kB
      - README
        
        225 Bytes
    - self_heating
      - HPH_bin
        
        74.0 MB
      - MoS2.cmd
        
        7.6 kB
      - README
        
        161 Bytes
- MoS2_hBN
  - 1_scf
    - INCAR
      
      1.1 kB
    - KPOINTS
      
      44 Bytes
    - POSCAR
      
      9.2 kB
    - POTCAR
      
      842.1 kB
  - 2_bands
    - INCAR
      
      1.0 kB
    - KPOINTS
      
      3.2 kB
    - README
      
      49 Bytes
    - README~
      
      38 Bytes
  - 3_wannier_preparation
    - INCAR
      
      1.0 kB
    - README
      
      50 Bytes
    - wannier90.win
      
      53 Bytes
  - 4_wannier_transformation
    - README
      
      64 Bytes
    - wannier90.win
      
      7.7 kB
  - 5_winterface
    - README
      
      116 Bytes
    - winput
      
      1.9 kB
  - Derivatives
    - 1_scf
      - INCAR
        
        1.1 kB
      - KPOINTS
        
        44 Bytes
      - POSCAR
        
        9.2 kB
      - POTCAR
        
        842.1 kB
    - 2_bands
      - INCAR
        
        1.0 kB
      - KPOINTS
        
        3.2 kB
      - README
        
        49 Bytes
    - 3_wannier_preparation
      - INCAR
        
        1.0 kB
      - README
        
        64 Bytes
      - README~
        
        52 Bytes
      - wannier90.win
        
        53 Bytes
    - 4_make_hr
      - HYDROhr.inp
        
        442 Bytes
      - README
        
        72 Bytes
    - 5_winterface
      - README
        
        359 Bytes
      - winput
        
        1.9 kB
  - Phonons
    - 0_relax
      - MoS2-1hBN.inp
        
        6.8 kB
    - 1_displ
      - MoS2-1hBN.inp
        
        8.9 kB
      - setting.conf
        
        128 Bytes
    - 2_forces
      - FORCE_CONSTANTS
        
        21.9 MB
      - FORCE_SETS
        
        7.6 MB
      - band.conf
        
        186 Bytes
      - bands.dat
        
        1.4 MB
      - phonopy.yaml
        
        68.2 kB
      - phonopy_disp.yaml
        
        116.7 kB
    - 3_get_IFC_hr
      - README
        
        150 Bytes
      - get_hr_wout.py
        
        3.7 kB
    - 4_winterface
      - README
        
        341 Bytes
      - wannier90.wout
        
        24.3 kB
      - winput
        
        1.9 kB
  - Quantum_Transport_simulation
    - pseudo_scatt
      - EPH_dat
        
        2.2 kB
      - MoS2-hBN.cmd
        
        8.0 kB
      - README
        
        225 Bytes
    - self_heating
      - GreenSolver.job
        
        431 Bytes
      - MoS2.cmd
        
        7.7 kB
      - README
        
        161 Bytes

Quantum_transport_oxide.zip