mirror of
https://github.com/triqs/dft_tools
synced 2024-12-24 13:23:37 +01:00
819fc987f0
The files from the original vasp-interface repository are reshuffled in accord with the directory structure of dft_tools. Some of the directories, such as 'test' (unit tests for the interface), 'examples' (simple examples for the development purposes) are temporarily placed into 'python/vasp' directory to avoid confusion with integral tests and examples of dft_tools.
51 lines
1.2 KiB
Plaintext
51 lines
1.2 KiB
Plaintext
1 1 1 1
|
|
0.1333597E+02 0.2587511E-09 0.2587511E-09 0.2587511E-09 0.5000000E-15
|
|
1.000000000000000E-004
|
|
CAR
|
|
V
|
|
11 4 9
|
|
|
|
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.3703704E-01
|
|
1 -31.099965
|
|
2 -31.099965
|
|
3 -31.099965
|
|
4 -0.813470
|
|
5 5.974027
|
|
6 5.974027
|
|
7 5.974027
|
|
8 7.986328
|
|
9 7.986328
|
|
|
|
0.3333333E+00 0.0000000E+00 0.0000000E+00 0.4444444E+00
|
|
1 -31.819277
|
|
2 -31.322999
|
|
3 -31.105684
|
|
4 2.193081
|
|
5 4.784864
|
|
6 5.839340
|
|
7 7.833446
|
|
8 8.202781
|
|
9 8.589551
|
|
|
|
0.3333333E+00 0.3333333E+00 0.0000000E+00 0.2962963E+00
|
|
1 -31.750021
|
|
2 -31.750021
|
|
3 -31.217560
|
|
4 3.978315
|
|
5 4.708263
|
|
6 4.708263
|
|
7 8.262522
|
|
8 8.262522
|
|
9 14.771374
|
|
|
|
-0.3333333E+00 0.3333333E+00 0.3333333E+00 0.2222222E+00
|
|
1 -31.719893
|
|
2 -31.577292
|
|
3 -31.577292
|
|
4 3.383714
|
|
5 3.756320
|
|
6 7.355029
|
|
7 7.355029
|
|
8 8.411511
|
|
9 11.054129
|