LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-11-20 13:02:31 +01:00
Code Issues Releases Wiki Activity
f86038a7fd
dft_tools/test/plovasp/proj_group/two_site/DOSCAR

508 lines
18 KiB
Plaintext
Raw Normal View History

Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
2 2 0 1
0.1333597E+02 0.2987800E-09 0.2987800E-09 0.2987800E-09 0.4000000E-15
1.000000000000000E-004
CAR
unknown system
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
13.00000000 -2.00000000 501 7.18103677 1.00000000
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
-2.000 0.4000E+03 0.1200E+02
-1.970 0.0000E+00 0.1200E+02
-1.940 0.0000E+00 0.1200E+02
-1.910 0.0000E+00 0.1200E+02
-1.880 0.0000E+00 0.1200E+02
-1.850 0.0000E+00 0.1200E+02
-1.820 0.0000E+00 0.1200E+02
-1.790 0.0000E+00 0.1200E+02
-1.760 0.0000E+00 0.1200E+02
-1.730 0.0000E+00 0.1200E+02
-1.700 0.0000E+00 0.1200E+02
-1.670 0.0000E+00 0.1200E+02
-1.640 0.0000E+00 0.1200E+02
-1.610 0.0000E+00 0.1200E+02
-1.580 0.0000E+00 0.1200E+02
-1.550 0.0000E+00 0.1200E+02
-1.520 0.0000E+00 0.1200E+02
-1.490 0.0000E+00 0.1200E+02
-1.460 0.0000E+00 0.1200E+02
-1.430 0.0000E+00 0.1200E+02
-1.400 0.0000E+00 0.1200E+02
-1.370 0.0000E+00 0.1200E+02
-1.340 0.0000E+00 0.1200E+02
-1.310 0.0000E+00 0.1200E+02
-1.280 0.0000E+00 0.1200E+02
-1.250 0.0000E+00 0.1200E+02
-1.220 0.0000E+00 0.1200E+02
-1.190 0.0000E+00 0.1200E+02
-1.160 0.0000E+00 0.1200E+02
-1.130 0.0000E+00 0.1200E+02
-1.100 0.0000E+00 0.1200E+02
-1.070 0.0000E+00 0.1200E+02
-1.040 0.0000E+00 0.1200E+02
-1.010 0.0000E+00 0.1200E+02
-0.980 0.0000E+00 0.1200E+02
-0.950 0.0000E+00 0.1200E+02
-0.920 0.0000E+00 0.1200E+02
-0.890 0.0000E+00 0.1200E+02
-0.860 0.0000E+00 0.1200E+02
-0.830 0.0000E+00 0.1200E+02
-0.800 0.0000E+00 0.1200E+02
-0.770 0.0000E+00 0.1200E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
-0.740 0.2515E-27 0.1200E+02
-0.710 0.4869E-10 0.1200E+02
-0.680 0.2487E-01 0.1200E+02
-0.650 0.8304E+01 0.1225E+02
-0.620 0.4638E-02 0.1225E+02
-0.590 0.7870E-04 0.1225E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
-0.560 0.0000E+00 0.1225E+02
-0.530 0.0000E+00 0.1225E+02
-0.500 0.0000E+00 0.1225E+02
-0.470 0.0000E+00 0.1225E+02
-0.440 0.0000E+00 0.1225E+02
-0.410 0.0000E+00 0.1225E+02
-0.380 0.0000E+00 0.1225E+02
-0.350 0.0000E+00 0.1225E+02
-0.320 0.0000E+00 0.1225E+02
-0.290 0.0000E+00 0.1225E+02
-0.260 0.0000E+00 0.1225E+02
-0.230 0.0000E+00 0.1225E+02
-0.200 0.0000E+00 0.1225E+02
-0.170 0.0000E+00 0.1225E+02
-0.140 0.0000E+00 0.1225E+02
-0.110 0.0000E+00 0.1225E+02
-0.080 0.0000E+00 0.1225E+02
-0.050 0.0000E+00 0.1225E+02
-0.020 0.0000E+00 0.1225E+02
0.010 0.0000E+00 0.1225E+02
0.040 0.0000E+00 0.1225E+02
0.070 0.0000E+00 0.1225E+02
0.100 0.0000E+00 0.1225E+02
0.130 0.0000E+00 0.1225E+02
0.160 0.0000E+00 0.1225E+02
0.190 0.0000E+00 0.1225E+02
0.220 0.0000E+00 0.1225E+02
0.250 0.0000E+00 0.1225E+02
0.280 0.0000E+00 0.1225E+02
0.310 0.0000E+00 0.1225E+02
0.340 0.0000E+00 0.1225E+02
0.370 0.0000E+00 0.1225E+02
0.400 0.0000E+00 0.1225E+02
0.430 0.0000E+00 0.1225E+02
0.460 0.0000E+00 0.1225E+02
0.490 0.0000E+00 0.1225E+02
0.520 0.0000E+00 0.1225E+02
0.550 0.0000E+00 0.1225E+02
0.580 0.0000E+00 0.1225E+02
0.610 0.0000E+00 0.1225E+02
0.640 0.0000E+00 0.1225E+02
0.670 0.0000E+00 0.1225E+02
0.700 0.0000E+00 0.1225E+02
0.730 0.0000E+00 0.1225E+02
0.760 0.0000E+00 0.1225E+02
0.790 0.0000E+00 0.1225E+02
0.820 0.0000E+00 0.1225E+02
0.850 0.0000E+00 0.1225E+02
0.880 0.0000E+00 0.1225E+02
0.910 0.0000E+00 0.1225E+02
0.940 0.0000E+00 0.1225E+02
0.970 0.0000E+00 0.1225E+02
1.000 0.0000E+00 0.1225E+02
1.030 0.0000E+00 0.1225E+02
1.060 0.0000E+00 0.1225E+02
1.090 0.0000E+00 0.1225E+02
1.120 0.0000E+00 0.1225E+02
1.150 0.0000E+00 0.1225E+02
1.180 0.0000E+00 0.1225E+02
1.210 0.0000E+00 0.1225E+02
1.240 0.0000E+00 0.1225E+02
1.270 0.0000E+00 0.1225E+02
1.300 0.0000E+00 0.1225E+02
1.330 0.0000E+00 0.1225E+02
1.360 0.0000E+00 0.1225E+02
1.390 0.0000E+00 0.1225E+02
1.420 0.0000E+00 0.1225E+02
1.450 0.0000E+00 0.1225E+02
1.480 0.0000E+00 0.1225E+02
1.510 0.0000E+00 0.1225E+02
1.540 0.0000E+00 0.1225E+02
1.570 0.0000E+00 0.1225E+02
1.600 0.0000E+00 0.1225E+02
1.630 0.0000E+00 0.1225E+02
1.660 0.0000E+00 0.1225E+02
1.690 0.0000E+00 0.1225E+02
1.720 0.0000E+00 0.1225E+02
1.750 0.0000E+00 0.1225E+02
1.780 0.0000E+00 0.1225E+02
1.810 0.0000E+00 0.1225E+02
1.840 0.0000E+00 0.1225E+02
1.870 0.0000E+00 0.1225E+02
1.900 0.0000E+00 0.1225E+02
1.930 0.0000E+00 0.1225E+02
1.960 0.0000E+00 0.1225E+02
1.990 0.0000E+00 0.1225E+02
2.020 0.0000E+00 0.1225E+02
2.050 0.0000E+00 0.1225E+02
2.080 0.0000E+00 0.1225E+02
2.110 0.0000E+00 0.1225E+02
2.140 0.0000E+00 0.1225E+02
2.170 0.0000E+00 0.1225E+02
2.200 0.0000E+00 0.1225E+02
2.230 0.0000E+00 0.1225E+02
2.260 0.0000E+00 0.1225E+02
2.290 0.0000E+00 0.1225E+02
2.320 0.0000E+00 0.1225E+02
2.350 0.0000E+00 0.1225E+02
2.380 0.0000E+00 0.1225E+02
2.410 0.0000E+00 0.1225E+02
2.440 0.0000E+00 0.1225E+02
2.470 0.0000E+00 0.1225E+02
2.500 0.0000E+00 0.1225E+02
2.530 0.0000E+00 0.1225E+02
2.560 0.0000E+00 0.1225E+02
2.590 0.0000E+00 0.1225E+02
2.620 0.0000E+00 0.1225E+02
2.650 0.0000E+00 0.1225E+02
2.680 0.0000E+00 0.1225E+02
2.710 0.0000E+00 0.1225E+02
2.740 0.0000E+00 0.1225E+02
2.770 0.0000E+00 0.1225E+02
2.800 0.0000E+00 0.1225E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
2.830 0.2911E-32 0.1225E+02
2.860 0.6591E-13 0.1225E+02
2.890 0.7741E-02 0.1225E+02
2.920 0.1791E+02 0.1279E+02
2.950 0.3206E+02 0.1375E+02
2.980 0.2728E-01 0.1375E+02
3.010 0.2638E-40 0.1375E+02
3.040 0.2480E-18 0.1375E+02
3.070 0.1792E-04 0.1375E+02
3.100 -0.2494E+01 0.1368E+02
3.130 0.6908E+02 0.1575E+02
3.160 0.8491E-01 0.1575E+02
3.190 0.2227E-06 0.1575E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
3.220 0.0000E+00 0.1575E+02
3.250 0.0000E+00 0.1575E+02
3.280 0.0000E+00 0.1575E+02
3.310 0.0000E+00 0.1575E+02
3.340 0.0000E+00 0.1575E+02
3.370 0.0000E+00 0.1575E+02
3.400 0.0000E+00 0.1575E+02
3.430 0.0000E+00 0.1575E+02
3.460 0.0000E+00 0.1575E+02
3.490 0.0000E+00 0.1575E+02
3.520 0.0000E+00 0.1575E+02
3.550 0.0000E+00 0.1575E+02
3.580 0.0000E+00 0.1575E+02
3.610 0.0000E+00 0.1575E+02
3.640 0.0000E+00 0.1575E+02
3.670 0.0000E+00 0.1575E+02
3.700 0.0000E+00 0.1575E+02
3.730 0.0000E+00 0.1575E+02
3.760 0.0000E+00 0.1575E+02
3.790 0.0000E+00 0.1575E+02
3.820 0.0000E+00 0.1575E+02
3.850 0.0000E+00 0.1575E+02
3.880 0.0000E+00 0.1575E+02
3.910 0.0000E+00 0.1575E+02
3.940 0.0000E+00 0.1575E+02
3.970 0.0000E+00 0.1575E+02
4.000 0.0000E+00 0.1575E+02
4.030 0.0000E+00 0.1575E+02
4.060 0.0000E+00 0.1575E+02
4.090 0.0000E+00 0.1575E+02
4.120 0.0000E+00 0.1575E+02
4.150 0.0000E+00 0.1575E+02
4.180 0.0000E+00 0.1575E+02
4.210 0.0000E+00 0.1575E+02
4.240 0.0000E+00 0.1575E+02
4.270 0.0000E+00 0.1575E+02
4.300 0.0000E+00 0.1575E+02
4.330 0.0000E+00 0.1575E+02
4.360 0.0000E+00 0.1575E+02
4.390 0.0000E+00 0.1575E+02
4.420 0.0000E+00 0.1575E+02
4.450 0.0000E+00 0.1575E+02
4.480 0.0000E+00 0.1575E+02
4.510 0.0000E+00 0.1575E+02
4.540 0.0000E+00 0.1575E+02
4.570 0.0000E+00 0.1575E+02
4.600 0.0000E+00 0.1575E+02
4.630 0.0000E+00 0.1575E+02
4.660 0.0000E+00 0.1575E+02
4.690 0.0000E+00 0.1575E+02
4.720 0.0000E+00 0.1575E+02
4.750 0.0000E+00 0.1575E+02
4.780 0.0000E+00 0.1575E+02
4.810 0.0000E+00 0.1575E+02
4.840 0.0000E+00 0.1575E+02
4.870 0.0000E+00 0.1575E+02
4.900 0.0000E+00 0.1575E+02
4.930 0.0000E+00 0.1575E+02
4.960 0.0000E+00 0.1575E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
4.990 0.2836E-24 0.1575E+02
5.020 0.7114E-08 0.1575E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
5.050 0.2460E+00 0.1576E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
5.080 0.5233E+02 0.1733E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
5.110 -0.2541E+01 0.1725E+02
5.140 0.5149E+02 0.1880E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
5.170 -0.1525E+01 0.1875E+02
5.200 0.5125E-05 0.1875E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
5.230 0.0000E+00 0.1875E+02
5.260 0.0000E+00 0.1875E+02
5.290 0.0000E+00 0.1875E+02
5.320 0.0000E+00 0.1875E+02
5.350 0.0000E+00 0.1875E+02
5.380 0.0000E+00 0.1875E+02
5.410 0.0000E+00 0.1875E+02
5.440 0.0000E+00 0.1875E+02
5.470 0.0000E+00 0.1875E+02
5.500 0.0000E+00 0.1875E+02
5.530 0.0000E+00 0.1875E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
5.560 0.1008E-41 0.1875E+02
5.590 0.2548E-19 0.1875E+02
5.620 0.5090E-05 0.1875E+02
5.650 -0.1519E+01 0.1870E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
5.680 0.5148E+02 0.2025E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
5.710 0.3700E-01 0.2025E+02
5.740 0.1308E-06 0.2025E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
5.770 0.0000E+00 0.2025E+02
5.800 0.0000E+00 0.2025E+02
5.830 0.0000E+00 0.2025E+02
5.860 0.0000E+00 0.2025E+02
5.890 0.0000E+00 0.2025E+02
5.920 0.0000E+00 0.2025E+02
5.950 0.0000E+00 0.2025E+02
5.980 0.0000E+00 0.2025E+02
6.010 0.0000E+00 0.2025E+02
6.040 0.0000E+00 0.2025E+02
6.070 0.0000E+00 0.2025E+02
6.100 0.0000E+00 0.2025E+02
6.130 0.0000E+00 0.2025E+02
6.160 0.0000E+00 0.2025E+02
6.190 0.0000E+00 0.2025E+02
6.220 0.0000E+00 0.2025E+02
6.250 0.0000E+00 0.2025E+02
6.280 0.0000E+00 0.2025E+02
6.310 0.0000E+00 0.2025E+02
6.340 0.0000E+00 0.2025E+02
6.370 0.0000E+00 0.2025E+02
6.400 0.0000E+00 0.2025E+02
6.430 0.0000E+00 0.2025E+02
6.460 0.0000E+00 0.2025E+02
6.490 0.0000E+00 0.2025E+02
6.520 0.0000E+00 0.2025E+02
6.550 0.0000E+00 0.2025E+02
6.580 0.0000E+00 0.2025E+02
6.610 0.0000E+00 0.2025E+02
6.640 0.0000E+00 0.2025E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
6.670 0.1443E-28 0.2025E+02
6.700 0.1231E-10 0.2025E+02
6.730 0.3673E-01 0.2025E+02
6.760 0.2171E+02 0.2090E+02
6.790 0.3253E+01 0.2100E+02
6.820 0.9783E-03 0.2100E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
6.850 0.0000E+00 0.2100E+02
6.880 0.0000E+00 0.2100E+02
6.910 0.0000E+00 0.2100E+02
6.940 0.0000E+00 0.2100E+02
6.970 0.0000E+00 0.2100E+02
7.000 0.0000E+00 0.2100E+02
7.030 0.0000E+00 0.2100E+02
7.060 0.0000E+00 0.2100E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
7.090 0.5828E-33 0.2100E+02
7.120 0.2886E-13 0.2100E+02
7.150 0.7966E-02 0.2100E+02
7.180 0.2349E+02 0.2170E+02
7.210 0.7641E+02 0.2400E+02
7.240 0.9199E-01 0.2400E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
7.270 0.0000E+00 0.2400E+02
7.300 0.0000E+00 0.2400E+02
7.330 0.0000E+00 0.2400E+02
7.360 0.0000E+00 0.2400E+02
7.390 0.0000E+00 0.2400E+02
7.420 0.0000E+00 0.2400E+02
7.450 0.0000E+00 0.2400E+02
7.480 0.0000E+00 0.2400E+02
7.510 0.0000E+00 0.2400E+02
7.540 0.0000E+00 0.2400E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
7.570 0.3159E-33 0.2400E+02
7.600 0.1530E-13 0.2400E+02
7.630 0.4098E-02 0.2400E+02
7.660 0.1199E+02 0.2436E+02
7.690 0.3796E+02 0.2550E+02
7.720 0.4497E-01 0.2550E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
7.750 0.0000E+00 0.2550E+02
7.780 0.0000E+00 0.2550E+02
7.810 0.0000E+00 0.2550E+02
7.840 0.0000E+00 0.2550E+02
7.870 0.0000E+00 0.2550E+02
7.900 0.0000E+00 0.2550E+02
7.930 0.0000E+00 0.2550E+02
7.960 0.0000E+00 0.2550E+02
7.990 0.0000E+00 0.2550E+02
8.020 0.0000E+00 0.2550E+02
8.050 0.0000E+00 0.2550E+02
8.080 0.0000E+00 0.2550E+02
8.110 0.0000E+00 0.2550E+02
8.140 0.0000E+00 0.2550E+02
8.170 0.0000E+00 0.2550E+02
8.200 0.0000E+00 0.2550E+02
8.230 0.0000E+00 0.2550E+02
8.260 0.0000E+00 0.2550E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
8.290 0.1648E-32 0.2550E+02
8.320 0.4506E-13 0.2550E+02
8.350 0.6554E-02 0.2550E+02
8.380 0.1624E+02 0.2599E+02
8.410 0.3372E+02 0.2700E+02
8.440 0.3143E-01 0.2700E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
8.470 0.0000E+00 0.2700E+02
8.500 0.0000E+00 0.2700E+02
8.530 0.0000E+00 0.2700E+02
8.560 0.0000E+00 0.2700E+02
8.590 0.0000E+00 0.2700E+02
8.620 0.0000E+00 0.2700E+02
8.650 0.0000E+00 0.2700E+02
8.680 0.0000E+00 0.2700E+02
8.710 0.0000E+00 0.2700E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
8.740 0.4303E-32 0.2700E+02
8.770 0.5814E-13 0.2700E+02
8.800 0.3885E-02 0.2700E+02
8.830 0.6519E+01 0.2720E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
8.860 0.6041E+02 0.2901E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
8.890 -0.2614E+00 0.2900E+02
8.920 0.4192E-06 0.2900E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
8.950 0.0000E+00 0.2900E+02
8.980 0.0000E+00 0.2900E+02
9.010 0.0000E+00 0.2900E+02
9.040 0.0000E+00 0.2900E+02
9.070 0.0000E+00 0.2900E+02
9.100 0.0000E+00 0.2900E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
9.130 0.1309E-38 0.2900E+02
9.160 0.3607E-17 0.2900E+02
9.190 0.7149E-04 0.2900E+02
9.220 -0.2548E+01 0.2892E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
9.250 0.5231E+02 0.3049E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
9.280 0.3418E+00 0.3050E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
9.310 0.3451E+02 0.3154E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
9.340 -0.1281E+01 0.3150E+02
9.370 0.6546E-05 0.3150E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
9.400 0.0000E+00 0.3150E+02
9.430 0.0000E+00 0.3150E+02
9.460 0.0000E+00 0.3150E+02
9.490 0.0000E+00 0.3150E+02
9.520 0.0000E+00 0.3150E+02
9.550 0.0000E+00 0.3150E+02
9.580 0.0000E+00 0.3150E+02
9.610 0.0000E+00 0.3150E+02
9.640 0.0000E+00 0.3150E+02
9.670 0.0000E+00 0.3150E+02
9.700 0.0000E+00 0.3150E+02
9.730 0.0000E+00 0.3150E+02
9.760 0.0000E+00 0.3150E+02
9.790 0.0000E+00 0.3150E+02
9.820 0.0000E+00 0.3150E+02
9.850 0.0000E+00 0.3150E+02
9.880 0.0000E+00 0.3150E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
9.910 0.5422E-47 0.3150E+02
9.940 0.4830E-23 0.3150E+02
9.970 0.3833E-07 0.3150E+02
10.000 0.1964E+00 0.3151E+02
10.030 0.5195E+02 0.3306E+02
10.060 -0.2151E+01 0.3300E+02
10.090 0.1457E-04 0.3300E+02
10.120 0.1362E-38 0.3300E+02
10.150 0.3004E-17 0.3300E+02
10.180 0.4675E-04 0.3300E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
10.210 -0.1230E+01 0.3296E+02
10.240 0.2611E+02 0.3375E+02
10.270 0.1168E+00 0.3375E+02
10.300 0.0000E+00 0.3375E+02
10.330 0.0000E+00 0.3375E+02
10.360 0.0000E+00 0.3375E+02
10.390 0.0000E+00 0.3375E+02
10.420 0.0000E+00 0.3375E+02
10.450 0.0000E+00 0.3375E+02
10.480 0.0000E+00 0.3375E+02
10.510 0.0000E+00 0.3375E+02
Fixed tests to pass with new LOCPROJ
2015-11-30 20:18:17 +01:00
10.540 0.1227E-32 0.3375E+02
10.570 0.3739E-13 0.3375E+02
10.600 0.6066E-02 0.3375E+02
10.630 0.1552E+02 0.3422E+02
10.660 0.3444E+02 0.3525E+02
10.690 0.3335E-01 0.3525E+02
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
10.720 0.0000E+00 0.3525E+02
10.750 0.0000E+00 0.3525E+02
10.780 0.0000E+00 0.3525E+02
10.810 0.0000E+00 0.3525E+02
10.840 0.0000E+00 0.3525E+02
10.870 0.0000E+00 0.3525E+02
10.900 0.0000E+00 0.3525E+02
10.930 0.0000E+00 0.3525E+02
10.960 0.0000E+00 0.3525E+02
10.990 0.0000E+00 0.3525E+02
11.020 0.0000E+00 0.3525E+02
11.050 0.0000E+00 0.3525E+02
11.080 0.0000E+00 0.3525E+02
11.110 0.0000E+00 0.3525E+02
11.140 0.0000E+00 0.3525E+02
11.170 0.0000E+00 0.3525E+02
11.200 0.0000E+00 0.3525E+02
11.230 0.0000E+00 0.3525E+02
11.260 0.0000E+00 0.3525E+02
11.290 0.0000E+00 0.3525E+02
11.320 0.0000E+00 0.3525E+02
11.350 0.0000E+00 0.3525E+02
11.380 0.0000E+00 0.3525E+02
11.410 0.0000E+00 0.3525E+02
11.440 0.0000E+00 0.3525E+02
11.470 0.0000E+00 0.3525E+02
11.500 0.0000E+00 0.3525E+02
11.530 0.0000E+00 0.3525E+02
11.560 0.0000E+00 0.3525E+02
11.590 0.0000E+00 0.3525E+02
11.620 0.0000E+00 0.3525E+02
11.650 0.0000E+00 0.3525E+02
11.680 0.0000E+00 0.3525E+02
11.710 0.0000E+00 0.3525E+02
11.740 0.0000E+00 0.3525E+02
11.770 0.0000E+00 0.3525E+02
11.800 0.0000E+00 0.3525E+02
11.830 0.0000E+00 0.3525E+02
11.860 0.0000E+00 0.3525E+02
11.890 0.0000E+00 0.3525E+02
11.920 0.0000E+00 0.3525E+02
11.950 0.0000E+00 0.3525E+02
11.980 0.0000E+00 0.3525E+02
12.010 0.0000E+00 0.3525E+02
12.040 0.0000E+00 0.3525E+02
12.070 0.0000E+00 0.3525E+02
12.100 0.0000E+00 0.3525E+02
12.130 0.0000E+00 0.3525E+02
12.160 0.0000E+00 0.3525E+02
12.190 0.0000E+00 0.3525E+02
12.220 0.0000E+00 0.3525E+02
12.250 0.0000E+00 0.3525E+02
12.280 0.0000E+00 0.3525E+02
12.310 0.0000E+00 0.3525E+02
12.340 0.0000E+00 0.3525E+02
12.370 0.0000E+00 0.3525E+02
12.400 0.0000E+00 0.3525E+02
12.430 0.0000E+00 0.3525E+02
12.460 0.0000E+00 0.3525E+02
12.490 0.0000E+00 0.3525E+02
12.520 0.0000E+00 0.3525E+02
12.550 0.0000E+00 0.3525E+02
12.580 0.0000E+00 0.3525E+02
12.610 0.0000E+00 0.3525E+02
12.640 0.0000E+00 0.3525E+02
12.670 0.0000E+00 0.3525E+02
12.700 0.0000E+00 0.3525E+02
12.730 0.0000E+00 0.3525E+02
12.760 0.0000E+00 0.3525E+02
12.790 0.0000E+00 0.3525E+02
12.820 0.0000E+00 0.3525E+02
12.850 0.0000E+00 0.3525E+02
12.880 0.0000E+00 0.3525E+02
12.910 0.0000E+00 0.3525E+02
12.940 0.0000E+00 0.3525E+02
12.970 0.0000E+00 0.3525E+02
13.000 0.0000E+00 0.3525E+02
Reference in New Issue Copy Permalink