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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
1 1 0 1
0.1333597E+02 0.2587511E-09 0.2587511E-09 0.2587511E-09 0.4000000E-15
Added examples directory with one example 'simple' Apart from their direct purpose as a help to users, examples may serve as integrity tests. Eventually, one can convert them into a test suite.
2015-03-01 11:15:32 +01:00
1.000000000000000E-004
CAR
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
unknown system
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
13.00000000 -2.00000000 501 7.60874112 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 0.0000E+00 0.6000E+01
-1.970 0.0000E+00 0.6000E+01
-1.940 0.0000E+00 0.6000E+01
-1.910 0.0000E+00 0.6000E+01
-1.880 0.0000E+00 0.6000E+01
-1.850 0.0000E+00 0.6000E+01
-1.820 0.0000E+00 0.6000E+01
-1.790 0.0000E+00 0.6000E+01
-1.760 0.0000E+00 0.6000E+01
-1.730 0.0000E+00 0.6000E+01
-1.700 0.0000E+00 0.6000E+01
-1.670 0.0000E+00 0.6000E+01
-1.640 0.0000E+00 0.6000E+01
-1.610 0.0000E+00 0.6000E+01
-1.580 0.0000E+00 0.6000E+01
-1.550 0.0000E+00 0.6000E+01
-1.520 0.0000E+00 0.6000E+01
-1.490 0.0000E+00 0.6000E+01
-1.460 0.0000E+00 0.6000E+01
-1.430 0.0000E+00 0.6000E+01
-1.400 0.0000E+00 0.6000E+01
-1.370 0.0000E+00 0.6000E+01
-1.340 0.0000E+00 0.6000E+01
-1.310 0.0000E+00 0.6000E+01
-1.280 0.0000E+00 0.6000E+01
-1.250 0.0000E+00 0.6000E+01
-1.220 0.0000E+00 0.6000E+01
-1.190 0.0000E+00 0.6000E+01
-1.160 0.0000E+00 0.6000E+01
-1.130 0.0000E+00 0.6000E+01
-1.100 0.0000E+00 0.6000E+01
-1.070 0.0000E+00 0.6000E+01
-1.040 0.0000E+00 0.6000E+01
-1.010 0.0000E+00 0.6000E+01
-0.980 0.0000E+00 0.6000E+01
-0.950 0.0000E+00 0.6000E+01
-0.920 0.0000E+00 0.6000E+01
-0.890 0.0000E+00 0.6000E+01
-0.860 0.0000E+00 0.6000E+01
-0.830 0.0000E+00 0.6000E+01
-0.800 0.0000E+00 0.6000E+01
-0.770 0.0000E+00 0.6000E+01
-0.740 0.0000E+00 0.6000E+01
-0.710 0.0000E+00 0.6000E+01
-0.680 0.0000E+00 0.6000E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
-0.650 0.6251E-04 0.6000E+01
-0.620 0.2552E-03 0.6000E+01
-0.590 0.5782E-03 0.6000E+01
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 0.1031E-02 0.6000E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
-0.530 0.1615E-02 0.6000E+01
-0.500 0.2329E-02 0.6000E+01
-0.470 0.3173E-02 0.6000E+01
-0.440 0.4147E-02 0.6000E+01
-0.410 0.5251E-02 0.6000E+01
-0.380 0.6486E-02 0.6001E+01
-0.350 0.7851E-02 0.6001E+01
-0.320 0.9346E-02 0.6001E+01
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
-0.290 0.1097E-01 0.6001E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
-0.260 0.1273E-01 0.6002E+01
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
-0.230 0.1461E-01 0.6002E+01
-0.200 0.1663E-01 0.6003E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
-0.170 0.1878E-01 0.6003E+01
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
-0.140 0.2105E-01 0.6004E+01
-0.110 0.2346E-01 0.6004E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
-0.080 0.2600E-01 0.6005E+01
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
-0.050 0.2866E-01 0.6006E+01
-0.020 0.3146E-01 0.6007E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
0.010 0.3439E-01 0.6008E+01
0.040 0.3745E-01 0.6009E+01
0.070 0.4064E-01 0.6010E+01
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
0.100 0.4395E-01 0.6011E+01
0.130 0.4740E-01 0.6013E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
0.160 0.5098E-01 0.6014E+01
0.190 0.5469E-01 0.6016E+01
0.220 0.5853E-01 0.6018E+01
0.250 0.6250E-01 0.6019E+01
0.280 0.6660E-01 0.6021E+01
0.310 0.7083E-01 0.6023E+01
0.340 0.7519E-01 0.6026E+01
0.370 0.7968E-01 0.6028E+01
0.400 0.8430E-01 0.6030E+01
0.430 0.8906E-01 0.6033E+01
0.460 0.9394E-01 0.6036E+01
0.490 0.9895E-01 0.6039E+01
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
0.520 0.1041E+00 0.6042E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
0.550 0.1094E+00 0.6045E+01
0.580 0.1148E+00 0.6048E+01
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
0.610 0.1203E+00 0.6052E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
0.640 0.1260E+00 0.6055E+01
0.670 0.1318E+00 0.6059E+01
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
0.700 0.1377E+00 0.6063E+01
0.730 0.1437E+00 0.6068E+01
0.760 0.1499E+00 0.6072E+01
0.790 0.1562E+00 0.6077E+01
0.820 0.1627E+00 0.6081E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
0.850 0.1693E+00 0.6086E+01
0.880 0.1760E+00 0.6091E+01
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
0.910 0.1828E+00 0.6097E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
0.940 0.1898E+00 0.6102E+01
0.970 0.1969E+00 0.6108E+01
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
1.000 0.2041E+00 0.6114E+01
1.030 0.2114E+00 0.6120E+01
1.060 0.2189E+00 0.6127E+01
1.090 0.2265E+00 0.6134E+01
1.120 0.2343E+00 0.6141E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
1.150 0.2422E+00 0.6148E+01
1.180 0.2502E+00 0.6155E+01
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
1.210 0.2583E+00 0.6163E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
1.240 0.2666E+00 0.6171E+01
1.270 0.2750E+00 0.6179E+01
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
1.300 0.2835E+00 0.6187E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
1.330 0.2922E+00 0.6196E+01
1.360 0.3010E+00 0.6205E+01
1.390 0.3099E+00 0.6214E+01
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
1.420 0.3189E+00 0.6223E+01
1.450 0.3281E+00 0.6233E+01
1.480 0.3374E+00 0.6243E+01
1.510 0.3468E+00 0.6253E+01
1.540 0.3564E+00 0.6264E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
1.570 0.3661E+00 0.6275E+01
1.600 0.3760E+00 0.6286E+01
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
1.630 0.3859E+00 0.6297E+01
1.660 0.3960E+00 0.6309E+01
1.690 0.4062E+00 0.6321E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
1.720 0.4166E+00 0.6333E+01
1.750 0.4271E+00 0.6346E+01
1.780 0.4377E+00 0.6359E+01
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
1.810 0.4484E+00 0.6372E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
1.840 0.4593E+00 0.6386E+01
1.870 0.4703E+00 0.6400E+01
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
1.900 0.4814E+00 0.6414E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
1.930 0.4927E+00 0.6429E+01
1.960 0.5041E+00 0.6443E+01
1.990 0.5156E+00 0.6459E+01
2.020 0.5273E+00 0.6474E+01
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
2.050 0.5390E+00 0.6490E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
2.080 0.5510E+00 0.6507E+01
2.110 0.5630E+00 0.6523E+01
2.140 0.5752E+00 0.6541E+01
2.170 0.5875E+00 0.6558E+01
2.200 0.5999E+00 0.6576E+01
2.230 0.6125E+00 0.6594E+01
2.260 0.6252E+00 0.6613E+01
2.290 0.6380E+00 0.6632E+01
2.320 0.6510E+00 0.6651E+01
2.350 0.6641E+00 0.6671E+01
2.380 0.6773E+00 0.6691E+01
2.410 0.6906E+00 0.6711E+01
2.440 0.7041E+00 0.6732E+01
2.470 0.7177E+00 0.6753E+01
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
2.500 0.7314E+00 0.6775E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
2.530 0.7453E+00 0.6797E+01
2.560 0.7593E+00 0.6820E+01
2.590 0.7734E+00 0.6843E+01
2.620 0.7877E+00 0.6866E+01
2.650 0.8021E+00 0.6890E+01
2.680 0.8166E+00 0.6914E+01
2.710 0.8313E+00 0.6939E+01
2.740 0.8460E+00 0.6964E+01
2.770 0.7408E+01 0.7618E+01
2.800 0.4811E+01 0.7800E+01
2.830 0.2772E+01 0.7913E+01
2.860 0.1292E+01 0.7972E+01
2.890 0.3701E+00 0.7996E+01
2.920 0.6406E-02 0.8000E+01
2.950 0.6159E-06 0.8000E+01
2.980 0.3448E-03 0.8000E+01
3.010 0.1322E-02 0.8000E+01
3.040 0.2931E-02 0.8000E+01
3.070 0.5173E-02 0.8000E+01
3.100 0.8047E-02 0.8000E+01
3.130 0.1155E-01 0.8001E+01
3.160 0.1569E-01 0.8001E+01
3.190 0.2047E-01 0.8002E+01
3.220 0.2587E-01 0.8002E+01
3.250 0.3191E-01 0.8003E+01
3.280 0.3858E-01 0.8004E+01
3.310 0.4588E-01 0.8006E+01
3.340 0.5381E-01 0.8007E+01
3.370 0.6238E-01 0.8009E+01
3.400 0.7158E-01 0.8011E+01
3.430 0.8141E-01 0.8013E+01
3.460 0.9188E-01 0.8016E+01
3.490 0.1030E+00 0.8019E+01
3.520 0.1147E+00 0.8022E+01
3.550 0.1271E+00 0.8025E+01
3.580 0.1401E+00 0.8029E+01
3.610 0.1537E+00 0.8034E+01
3.640 0.1680E+00 0.8039E+01
3.670 0.1828E+00 0.8044E+01
3.700 0.1984E+00 0.8050E+01
3.730 0.2145E+00 0.8056E+01
3.760 0.2313E+00 0.8063E+01
3.790 0.2487E+00 0.8070E+01
3.820 0.2668E+00 0.8077E+01
3.850 0.2855E+00 0.8086E+01
3.880 0.3048E+00 0.8095E+01
3.910 0.3248E+00 0.8104E+01
3.940 0.3453E+00 0.8114E+01
3.970 0.3666E+00 0.8125E+01
4.000 0.3884E+00 0.8136E+01
4.030 0.4109E+00 0.8148E+01
4.060 0.4340E+00 0.8161E+01
4.090 0.4578E+00 0.8174E+01
4.120 0.4821E+00 0.8188E+01
4.150 0.5072E+00 0.8203E+01
4.180 0.5328E+00 0.8219E+01
4.210 0.5591E+00 0.8235E+01
4.240 0.5860E+00 0.8252E+01
4.270 0.6135E+00 0.8270E+01
4.300 0.6417E+00 0.8289E+01
4.330 0.6705E+00 0.8309E+01
4.360 0.7000E+00 0.8329E+01
4.390 0.7300E+00 0.8351E+01
4.420 0.7607E+00 0.8373E+01
4.450 0.7921E+00 0.8396E+01
4.480 0.8240E+00 0.8421E+01
4.510 0.8567E+00 0.8446E+01
4.540 0.8899E+00 0.8472E+01
4.570 0.9238E+00 0.8499E+01
4.600 0.9583E+00 0.8527E+01
4.630 0.9934E+00 0.8557E+01
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
4.660 0.1029E+01 0.8587E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
4.690 0.1066E+01 0.8618E+01
4.720 0.1103E+01 0.8651E+01
4.750 0.1140E+01 0.8685E+01
4.780 0.1179E+01 0.8719E+01
4.810 0.4971E+01 0.8766E+01
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
4.840 0.1381E+01 0.9298E+01
4.870 0.1327E+01 0.9339E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
4.900 0.1274E+01 0.9378E+01
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
4.930 0.1223E+01 0.9415E+01
4.960 0.1172E+01 0.9451E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
4.990 0.1122E+01 0.9486E+01
5.020 0.1074E+01 0.9519E+01
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 0.1027E+01 0.9550E+01
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
5.080 0.9803E+00 0.9580E+01
5.110 0.9350E+00 0.9609E+01
5.140 0.8908E+00 0.9636E+01
5.170 0.8477E+00 0.9662E+01
5.200 0.8057E+00 0.9687E+01
5.230 0.7647E+00 0.9711E+01
5.260 0.7248E+00 0.9733E+01
5.290 0.6859E+00 0.9754E+01
5.320 0.6482E+00 0.9774E+01
5.350 0.6115E+00 0.9793E+01
5.380 0.5758E+00 0.9811E+01
5.410 0.5413E+00 0.9828E+01
5.440 0.5078E+00 0.9844E+01
5.470 0.4754E+00 0.9858E+01
5.500 0.4440E+00 0.9872E+01
5.530 0.4137E+00 0.9885E+01
5.560 0.3845E+00 0.9897E+01
5.590 0.3564E+00 0.9908E+01
5.620 0.3293E+00 0.9918E+01
5.650 0.3033E+00 0.9928E+01
5.680 0.2784E+00 0.9936E+01
5.710 0.2545E+00 0.9944E+01
5.740 0.2317E+00 0.9952E+01
5.770 0.2100E+00 0.9958E+01
5.800 0.1893E+00 0.9964E+01
5.830 0.1697E+00 0.9970E+01
5.860 0.1512E+00 0.9975E+01
5.890 0.1338E+00 0.9979E+01
5.920 0.1174E+00 0.9983E+01
5.950 0.1021E+00 0.9986E+01
5.980 0.8783E-01 0.9989E+01
6.010 0.7466E-01 0.9991E+01
6.040 0.6256E-01 0.9993E+01
6.070 0.5153E-01 0.9995E+01
6.100 0.4156E-01 0.9996E+01
6.130 0.3267E-01 0.9997E+01
6.160 0.2485E-01 0.9998E+01
6.190 0.1809E-01 0.9999E+01
6.220 0.1240E-01 0.9999E+01
6.250 0.7788E-02 0.1000E+02
6.280 0.4242E-02 0.1000E+02
6.310 0.1764E-02 0.1000E+02
6.340 0.3565E-03 0.1000E+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
6.370 0.0000E+00 0.1000E+02
6.400 0.0000E+00 0.1000E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
6.430 0.9600E-03 0.1000E+02
6.460 0.4493E-02 0.1000E+02
6.490 0.1062E-01 0.1000E+02
6.520 0.1935E-01 0.1000E+02
6.550 0.3068E-01 0.1000E+02
6.580 0.4461E-01 0.1000E+02
6.610 0.6114E-01 0.1000E+02
6.640 0.8026E-01 0.1001E+02
6.670 0.1020E+00 0.1001E+02
6.700 0.1263E+00 0.1001E+02
6.730 0.1532E+00 0.1002E+02
6.760 0.1827E+00 0.1002E+02
6.790 0.2149E+00 0.1003E+02
6.820 0.2496E+00 0.1003E+02
6.850 0.2869E+00 0.1004E+02
6.880 0.3268E+00 0.1005E+02
6.910 0.3693E+00 0.1006E+02
6.940 0.4144E+00 0.1007E+02
6.970 0.4621E+00 0.1009E+02
7.000 0.5125E+00 0.1010E+02
7.030 0.5654E+00 0.1012E+02
7.060 0.6209E+00 0.1014E+02
7.090 0.6790E+00 0.1016E+02
7.120 0.7397E+00 0.1018E+02
7.150 0.8030E+00 0.1020E+02
7.180 0.8689E+00 0.1022E+02
7.210 0.9374E+00 0.1025E+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
7.240 0.1008E+01 0.1028E+02
7.270 0.1082E+01 0.1031E+02
7.300 0.1158E+01 0.1035E+02
7.330 0.1237E+01 0.1038E+02
7.360 0.1319E+01 0.1042E+02
7.390 0.1403E+01 0.1046E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
7.420 0.1490E+01 0.1050E+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
7.450 0.1579E+01 0.1055E+02
7.480 0.1671E+01 0.1060E+02
7.510 0.1765E+01 0.1065E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
7.540 0.1862E+01 0.1071E+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
7.570 0.1962E+01 0.1076E+02
7.600 0.2064E+01 0.1082E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
7.630 0.1567E+01 0.1138E+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
7.660 0.1555E+01 0.1142E+02
7.690 0.1545E+01 0.1147E+02
7.720 0.1536E+01 0.1152E+02
7.750 0.1528E+01 0.1156E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
7.780 0.1521E+01 0.1161E+02
7.810 0.1515E+01 0.1165E+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
7.840 0.1509E+01 0.1170E+02
7.870 0.1505E+01 0.1175E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
7.900 0.1502E+01 0.1179E+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
7.930 0.1499E+01 0.1184E+02
7.960 0.1498E+01 0.1188E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
7.990 0.1498E+01 0.1193E+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
8.020 0.1498E+01 0.1197E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
8.050 0.1500E+01 0.1202E+02
8.080 0.1503E+01 0.1206E+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
8.110 0.1506E+01 0.1211E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
8.140 0.1511E+01 0.1215E+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
8.170 0.1516E+01 0.1220E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
8.200 0.1523E+01 0.1224E+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
8.230 0.1530E+01 0.1229E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
8.260 0.1539E+01 0.1233E+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
8.290 0.1548E+01 0.1238E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
8.320 0.1559E+01 0.1243E+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
8.350 0.1570E+01 0.1247E+02
8.380 0.1582E+01 0.1252E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
8.410 0.1596E+01 0.1257E+02
8.440 0.1738E+02 0.1276E+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 0.1990E+01 0.1317E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
8.500 0.2017E+01 0.1323E+02
8.530 0.2107E+01 0.1329E+02
8.560 0.2260E+01 0.1336E+02
8.590 0.2476E+01 0.1343E+02
8.620 0.2754E+01 0.1351E+02
8.650 0.3096E+01 0.1359E+02
8.680 0.3500E+01 0.1369E+02
8.710 0.3967E+01 0.1380E+02
8.740 0.4497E+01 0.1393E+02
8.770 0.5090E+01 0.1407E+02
8.800 0.5745E+01 0.1424E+02
8.830 0.6614E+01 0.1488E+02
8.860 0.3428E+01 0.1498E+02
8.890 0.3219E+01 0.1508E+02
8.920 0.3018E+01 0.1518E+02
8.950 0.2825E+01 0.1527E+02
8.980 0.2640E+01 0.1535E+02
9.010 0.2463E+01 0.1542E+02
9.040 0.2294E+01 0.1550E+02
9.070 0.2133E+01 0.1556E+02
9.100 0.1980E+01 0.1562E+02
9.130 0.1834E+01 0.1568E+02
9.160 0.1697E+01 0.1573E+02
9.190 0.1568E+01 0.1578E+02
9.220 0.1447E+01 0.1583E+02
9.250 0.1334E+01 0.1587E+02
9.280 0.1228E+01 0.1591E+02
9.310 0.1131E+01 0.1594E+02
9.340 0.1042E+01 0.1598E+02
9.370 0.9607E+00 0.1601E+02
9.400 0.8874E+00 0.1603E+02
9.430 0.8221E+00 0.1606E+02
9.460 0.7647E+00 0.1608E+02
9.490 0.7154E+00 0.1611E+02
9.520 0.6740E+00 0.1613E+02
9.550 0.6407E+00 0.1615E+02
9.580 0.6153E+00 0.1616E+02
9.610 0.5979E+00 0.1618E+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
9.640 0.5885E+00 0.1620E+02
9.670 0.5870E+00 0.1622E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
9.700 0.5936E+00 0.1624E+02
9.730 0.6081E+00 0.1625E+02
9.760 0.6304E+00 0.1627E+02
9.790 0.6591E+00 0.1629E+02
9.820 0.6892E+00 0.1631E+02
9.850 0.7200E+00 0.1633E+02
9.880 0.7515E+00 0.1636E+02
9.910 0.7837E+00 0.1638E+02
9.940 0.8165E+00 0.1640E+02
9.970 0.8500E+00 0.1643E+02
10.000 0.8841E+00 0.1645E+02
10.030 0.9190E+00 0.1648E+02
10.060 0.9545E+00 0.1651E+02
10.090 0.9907E+00 0.1654E+02
10.120 0.1028E+01 0.1657E+02
10.150 0.1315E+02 0.1670E+02
10.180 0.4327E+00 0.1712E+02
10.210 0.4285E+00 0.1713E+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
10.240 0.4243E+00 0.1714E+02
10.270 0.4201E+00 0.1716E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
10.300 0.4159E+00 0.1717E+02
10.330 0.4117E+00 0.1718E+02
10.360 0.4076E+00 0.1719E+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
10.390 0.4035E+00 0.1721E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
10.420 0.3994E+00 0.1722E+02
10.450 0.3953E+00 0.1723E+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
10.480 0.3913E+00 0.1724E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
10.510 0.3872E+00 0.1725E+02
10.540 0.3832E+00 0.1727E+02
10.570 0.3792E+00 0.1728E+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
10.600 0.3753E+00 0.1729E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
10.630 0.3713E+00 0.1730E+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
10.660 0.3674E+00 0.1731E+02
10.690 0.3635E+00 0.1732E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
10.720 0.3596E+00 0.1733E+02
10.750 0.3557E+00 0.1734E+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
10.780 0.3519E+00 0.1735E+02
10.810 0.3481E+00 0.1736E+02
10.840 0.3443E+00 0.1737E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
10.870 0.3405E+00 0.1739E+02
10.900 0.3367E+00 0.1740E+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
10.930 0.3330E+00 0.1741E+02
10.960 0.3293E+00 0.1742E+02
10.990 0.3256E+00 0.1742E+02
11.020 0.3219E+00 0.1743E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
11.050 0.3182E+00 0.1744E+02
11.080 0.3146E+00 0.1745E+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
11.110 0.3110E+00 0.1746E+02
11.140 0.3074E+00 0.1747E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
11.170 0.3038E+00 0.1748E+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
11.200 0.3003E+00 0.1749E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
11.230 0.2967E+00 0.1750E+02
11.260 0.2932E+00 0.1751E+02
11.290 0.2897E+00 0.1752E+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
11.320 0.2863E+00 0.1753E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
11.350 0.2828E+00 0.1753E+02
11.380 0.2794E+00 0.1754E+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
11.410 0.2760E+00 0.1755E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
11.440 0.2726E+00 0.1756E+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
11.470 0.2693E+00 0.1757E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
11.500 0.2659E+00 0.1758E+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
11.530 0.2626E+00 0.1758E+02
11.560 0.2593E+00 0.1759E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
11.590 0.2560E+00 0.1760E+02
11.620 0.2527E+00 0.1761E+02
11.650 0.2495E+00 0.1761E+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
11.680 0.2463E+00 0.1762E+02
11.710 0.2431E+00 0.1763E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
11.740 0.2399E+00 0.1764E+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
11.770 0.2368E+00 0.1764E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
11.800 0.2336E+00 0.1765E+02
11.830 0.2305E+00 0.1766E+02
11.860 0.2274E+00 0.1766E+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
11.890 0.2244E+00 0.1767E+02
11.920 0.2213E+00 0.1768E+02
11.950 0.2183E+00 0.1768E+02
11.980 0.2153E+00 0.1769E+02
12.010 0.2123E+00 0.1770E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
12.040 0.2093E+00 0.1770E+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
12.070 0.2064E+00 0.1771E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
12.100 0.2034E+00 0.1772E+02
12.130 0.2005E+00 0.1772E+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
12.160 0.1977E+00 0.1773E+02
12.190 0.1948E+00 0.1773E+02
12.220 0.1920E+00 0.1774E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
12.250 0.1891E+00 0.1775E+02
12.280 0.1863E+00 0.1775E+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
12.310 0.1836E+00 0.1776E+02
12.340 0.1808E+00 0.1776E+02
12.370 0.1781E+00 0.1777E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
12.400 0.1753E+00 0.1777E+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
12.430 0.1727E+00 0.1778E+02
12.460 0.1700E+00 0.1778E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
12.490 0.1673E+00 0.1779E+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
12.520 0.1647E+00 0.1779E+02
12.550 0.1621E+00 0.1780E+02
12.580 0.1595E+00 0.1780E+02
12.610 0.1569E+00 0.1781E+02
12.640 0.1544E+00 0.1781E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
12.670 0.1518E+00 0.1782E+02
12.700 0.1493E+00 0.1782E+02
12.730 0.1468E+00 0.1783E+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
12.760 0.1444E+00 0.1783E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
12.790 0.1419E+00 0.1783E+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
12.820 0.1395E+00 0.1784E+02
12.850 0.1371E+00 0.1784E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
12.880 0.1347E+00 0.1785E+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
12.910 0.1324E+00 0.1785E+02
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
12.940 0.1300E+00 0.1785E+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
12.970 0.1277E+00 0.1786E+02
13.000 0.1254E+00 0.1786E+02
Reference in New Issue Copy Permalink