File: nac.yaml

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phonopy 2.47.1-2
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file content (18 lines) | stat: -rw-r--r-- 780 bytes parent folder | download | duplicates (4) 
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phonopy:
  version: 2.18.0
nac:
  born_effective_charge:
  - # 1 (Na)
    - [  1.087030000000000, -0.000000000000000, -0.000000000000000 ]
    - [ -0.000000000000000,  1.087030000000000,  0.000000000000000 ]
    - [  0.000000000000000,  0.000000000000000,  1.087030000000000 ]
  - # 2 (Cl)
    - [ -1.086720000000000, -0.000000000000000,  0.000000000000000 ]
    - [  0.000000000000000, -1.086720000000000, -0.000000000000000 ]
    - [  0.000000000000000,  0.000000000000000, -1.086720000000000 ]
  dielectric_constant:
    - [  2.435339670000000,  0.000000000000000,  0.000000000000000 ]
    - [  0.000000000000000,  2.435339670000000,  0.000000000000000 ]
    - [  0.000000000000000,  0.000000000000000,  2.435339670000000 ]
  unit_conversion_factor: 14.400000
  method: 'Wang'