[Phonopy-users] A question about qpoints.yaml file format

[Manh C. N. <nmc...@gm...>]

Hi Phonopy users,
I am a new user of phonopy and I am calculating phonon for some Si
structures.
One of my Si structure has negative phonon frequency so that I want to find
which phonon mode corresponding to that negative phonon to move the atom
along that mode to get the stable structure.
I calculated the eigenvector at some qpoint but I do not know how to read
the content of the output (qpoints.yaml).
Can anybody tell me the format of that file?
I copy part of that file here:

- q-position: [    0.0000000,    0.0000000,    0.0000000 ]
  q-point:
  - # 1
    frequency:   -0.5749801735
    eigenvector:
    - # atom 1
      - [ -0.04781894759525,  0.00000000000000 ]
      - [  0.00499345225978,  0.00000000000000 ]
      - [ -0.49735663062392,  0.00000000000000 ]
    - # atom 2
      - [  0.04781894759521,  0.00000000000000 ]
      - [ -0.00499345225969,  0.00000000000000 ]
      - [ -0.49735663062393,  0.00000000000000 ]
    - # atom 3
      - [ -0.00499345225975,  0.00000000000000 ]
      - [ -0.04781894759520,  0.00000000000000 ]
      - [ -0.49735663062395,  0.00000000000000 ]

Thanks,

-- 
Nguyen, Manh Cuong

Postdoctoral Research Associate
Ames Laboratory, US DOE
Department of Physics and Astronomy, Iowa State University
Ames, IA 50011, USA
Mobile: 515-441-6405
Email: nmc...@gm...
Homepage: http://mcnguyen.public.iastate.edu/