1phonopy:
2  version: 2.8.1
3  calculator: fleur
4  frequency_unit_conversion_factor: 15.633302
5  symmetry_tolerance: 1.00000e-05
6  configuration:
7    cell_filename: "fleur_inpgen"
8    create_displacements: ".true."
9    dim: "2 2 2"
10    calculator: "fleur"
11
12physical_unit:
13  atomic_mass: "AMU"
14  length: "au"
15  force_constants: "hartree/au^2"
16
17space_group:
18  type: "Fm-3m"
19  number: 225
20  Hall_symbol: "-F 4 2 3"
21
22supercell_matrix:
23- [   2,   0,   0 ]
24- [   0,   2,   0 ]
25- [   0,   0,   2 ]
26
27primitive_cell:
28  lattice:
29  - [     0.000000000000000,     3.828000000000000,     3.828000000000000 ] # a
30  - [     3.828000000000000,     0.000000000000000,     3.828000000000000 ] # b
31  - [     3.828000000000000,     3.828000000000000,     0.000000000000000 ] # c
32  points:
33  - symbol: Al # 1
34    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]
35    mass: 26.981539
36  reciprocal_lattice: # without 2pi
37  - [    -0.130616509926855,     0.130616509926855,     0.130616509926855 ] # a*
38  - [     0.130616509926855,    -0.130616509926855,     0.130616509926855 ] # b*
39  - [     0.130616509926855,     0.130616509926855,    -0.130616509926855 ] # c*
40
41unit_cell:
42  lattice:
43  - [     0.000000000000000,     3.828000000000000,     3.828000000000000 ] # a
44  - [     3.828000000000000,     0.000000000000000,     3.828000000000000 ] # b
45  - [     3.828000000000000,     3.828000000000000,     0.000000000000000 ] # c
46  points:
47  - symbol: Al # 1
48    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]
49    mass: 26.981539
50    reduced_to: 1
51
52supercell:
53  lattice:
54  - [     0.000000000000000,     7.656000000000000,     7.656000000000000 ] # a
55  - [     7.656000000000000,     0.000000000000000,     7.656000000000000 ] # b
56  - [     7.656000000000000,     7.656000000000000,     0.000000000000000 ] # c
57  points:
58  - symbol: Al # 1
59    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]
60    mass: 26.981539
61    reduced_to: 1
62  - symbol: Al # 2
63    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]
64    mass: 26.981539
65    reduced_to: 1
66  - symbol: Al # 3
67    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]
68    mass: 26.981539
69    reduced_to: 1
70  - symbol: Al # 4
71    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]
72    mass: 26.981539
73    reduced_to: 1
74  - symbol: Al # 5
75    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]
76    mass: 26.981539
77    reduced_to: 1
78  - symbol: Al # 6
79    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]
80    mass: 26.981539
81    reduced_to: 1
82  - symbol: Al # 7
83    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]
84    mass: 26.981539
85    reduced_to: 1
86  - symbol: Al # 8
87    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]
88    mass: 26.981539
89    reduced_to: 1
90
91displacements:
92- atom:    1
93  displacement:
94    [   0.0000000000000000,  0.0141421356237310,  0.0141421356237310 ]
95