mirror of
https://github.com/triqs/dft_tools
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87b00f61b1
Added a check to 'vaspio.py' testing that the number of columns implies that the Fermi weights are present in EIGENVAL. This check ensures that the new format (starting from VASP 5.4) of the file is used. Corresponding test is added to the suite.
51 lines
1.2 KiB
Plaintext
51 lines
1.2 KiB
Plaintext
1 1 1 1
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0.1333597E+02 0.2587511E-09 0.2587511E-09 0.2587511E-09 0.5000000E-15
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1.000000000000000E-004
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CAR
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V
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11 4 9
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0.0000000E+00 0.0000000E+00 0.0000000E+00 0.3703704E-01
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1 -31.099965
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2 -31.099965
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3 -31.099965
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4 -0.813470
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5 5.974027
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6 5.974027
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7 5.974027
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8 7.986328
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9 7.986328
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0.3333333E+00 0.0000000E+00 0.0000000E+00 0.4444444E+00
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1 -31.819277
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2 -31.322999
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3 -31.105684
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4 2.193081
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5 4.784864
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6 5.839340
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7 7.833446
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8 8.202781
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9 8.589551
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0.3333333E+00 0.3333333E+00 0.0000000E+00 0.2962963E+00
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1 -31.750021
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2 -31.750021
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3 -31.217560
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4 3.978315
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5 4.708263
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6 4.708263
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7 8.262522
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8 8.262522
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9 14.771374
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-0.3333333E+00 0.3333333E+00 0.3333333E+00 0.2222222E+00
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1 -31.719893
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2 -31.577292
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3 -31.577292
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4 3.383714
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5 3.756320
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6 7.355029
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7 7.355029
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8 8.411511
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9 11.054129
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