dft_tools/test/plovasp/vaspio/EIGENVAL.wrong

    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
Added a format check for EIGENVAL to vaspio.py 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. 2015-10-16 11:59:02 +02:00			`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`