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dft_tools/test/plovasp/proj_group/one_site/DOSCAR

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Fixed tests for ProjectorGroup The tests have been modified to conform to the recent input and code changes.
2015-11-18 15:46:58 +01:00
5 5 0 1
0.1133347E+02 0.3841000E-09 0.3841000E-09 0.3841000E-09 0.4000000E-15
1.000000000000000E-004
CAR
unknown system
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10.600 0.1175E+01 0.4840E+02
10.630 0.1293E+01 0.4844E+02
10.660 0.1409E+01 0.4848E+02
10.690 0.1523E+01 0.4852E+02
10.720 0.1634E+01 0.4857E+02
10.750 0.1743E+01 0.4862E+02
10.780 0.1851E+01 0.4868E+02
10.810 0.1956E+01 0.4873E+02
10.840 0.2058E+01 0.4879E+02
10.870 0.2159E+01 0.4886E+02
10.900 0.2257E+01 0.4892E+02
10.930 0.2354E+01 0.4899E+02
10.960 0.2448E+01 0.4906E+02
10.990 0.2540E+01 0.4914E+02
11.020 0.2629E+01 0.4922E+02
11.050 0.2717E+01 0.4930E+02
11.080 0.2803E+01 0.4938E+02
11.110 0.2886E+01 0.4946E+02
11.140 0.2967E+01 0.4955E+02
11.170 0.3046E+01 0.4964E+02
11.200 0.6778E+01 0.4976E+02
11.230 0.6218E+01 0.4996E+02
11.260 0.5679E+01 0.5014E+02
11.290 0.5163E+01 0.5030E+02
11.320 0.4669E+01 0.5045E+02
11.350 0.4198E+01 0.5058E+02
11.380 0.3748E+01 0.5070E+02
11.410 0.1363E+01 0.5085E+02
11.440 0.1401E+01 0.5089E+02
11.470 0.1439E+01 0.5093E+02
11.500 0.1477E+01 0.5097E+02
11.530 0.3159E+01 0.5119E+02
11.560 0.3409E+01 0.5129E+02
11.590 0.3661E+01 0.5139E+02
11.620 0.3917E+01 0.5151E+02
11.650 0.4174E+01 0.5163E+02
11.680 0.4435E+01 0.5176E+02
11.710 0.4698E+01 0.5190E+02
11.740 0.4965E+01 0.5204E+02
11.770 0.5211E+01 0.5219E+02
11.800 0.5392E+01 0.5235E+02
11.830 0.5529E+01 0.5252E+02
11.860 0.5623E+01 0.5268E+02
11.890 0.5674E+01 0.5285E+02
11.920 0.5681E+01 0.5302E+02
11.950 0.5650E+01 0.5319E+02
11.980 0.5583E+01 0.5336E+02
12.010 0.5480E+01 0.5353E+02
12.040 0.5341E+01 0.5369E+02
12.070 0.3248E+01 0.5382E+02
12.100 0.3064E+01 0.5392E+02
12.130 0.2847E+01 0.5401E+02
12.160 0.2503E+00 0.5402E+02
12.190 0.3160E+00 0.5403E+02
12.220 0.3894E+00 0.5404E+02
12.250 0.4705E+00 0.5405E+02
12.280 0.5592E+00 0.5407E+02
12.310 0.6556E+00 0.5409E+02
12.340 0.7596E+00 0.5411E+02
12.370 0.8713E+00 0.5413E+02
12.400 0.9906E+00 0.5416E+02
12.430 0.1118E+01 0.5419E+02
12.460 0.1547E+01 0.5423E+02
12.490 0.1995E+01 0.5428E+02
12.520 0.2426E+01 0.5435E+02
12.550 0.2842E+01 0.5443E+02
12.580 0.3241E+01 0.5452E+02
12.610 0.3623E+01 0.5462E+02
12.640 0.3990E+01 0.5474E+02
12.670 0.4341E+01 0.5486E+02
12.700 0.4675E+01 0.5500E+02
12.730 0.4993E+01 0.5514E+02
12.760 0.5295E+01 0.5530E+02
12.790 0.5580E+01 0.5546E+02
12.820 0.5533E+01 0.5641E+02
12.850 0.1118E+02 0.5666E+02
12.880 0.1771E+02 0.5709E+02
12.910 0.1928E+02 0.5766E+02
12.940 0.3378E+00 0.5811E+02
12.970 0.3671E+00 0.5812E+02
13.000 0.3957E+00 0.5813E+02
Reference in New Issue Copy Permalink