LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-12-22 04:13:47 +01:00
Code Issues Releases Wiki Activity

Fixed example 'simple' and corresponding tests

Browse Source 
The calculation of the example was redone to generate LOCPROJ
in a new format (valid starting from VASP 5.4.2).
This commit is contained in:
Oleg E. Peil 2015-11-30 19:52:38 +01:00
parent 1fd2a1af6a
commit 3ccb047329
8 changed files with 6878 additions and 3739 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

666
python/converters/plovasp/examples/simple/DOSCAR
View File

@ -3,7 +3,7 @@
1.000000000000000E-004 1.000000000000000E-004
CAR CAR
unknown system unknown system
13.00000000 -2.00000000 501 7.60877984 1.00000000 13.00000000 -2.00000000 501 7.60874112 1.00000000
-2.000 0.0000E+00 0.6000E+01 -2.000 0.0000E+00 0.6000E+01
-1.970 0.0000E+00 0.6000E+01 -1.970 0.0000E+00 0.6000E+01
-1.940 0.0000E+00 0.6000E+01 -1.940 0.0000E+00 0.6000E+01
@ -49,459 +49,459 @@
-0.740 0.0000E+00 0.6000E+01 -0.740 0.0000E+00 0.6000E+01
-0.710 0.0000E+00 0.6000E+01 -0.710 0.0000E+00 0.6000E+01
-0.680 0.0000E+00 0.6000E+01 -0.680 0.0000E+00 0.6000E+01
-0.650 0.6243E-04 0.6000E+01 -0.650 0.6251E-04 0.6000E+01
-0.620 0.2551E-03 0.6000E+01 -0.620 0.2552E-03 0.6000E+01
-0.590 0.5779E-03 0.6000E+01 -0.590 0.5782E-03 0.6000E+01
-0.560 0.1031E-02 0.6000E+01 -0.560 0.1031E-02 0.6000E+01
-0.530 0.1614E-02 0.6000E+01 -0.530 0.1615E-02 0.6000E+01
-0.500 0.2328E-02 0.6000E+01 -0.500 0.2329E-02 0.6000E+01
-0.470 0.3172E-02 0.6000E+01 -0.470 0.3173E-02 0.6000E+01
-0.440 0.4146E-02 0.6000E+01 -0.440 0.4147E-02 0.6000E+01
-0.410 0.5250E-02 0.6000E+01 -0.410 0.5251E-02 0.6000E+01
-0.380 0.6484E-02 0.6001E+01 -0.380 0.6486E-02 0.6001E+01
-0.350 0.7849E-02 0.6001E+01 -0.350 0.7851E-02 0.6001E+01
-0.320 0.9344E-02 0.6001E+01 -0.320 0.9346E-02 0.6001E+01
-0.290 0.1097E-01 0.6001E+01 -0.290 0.1097E-01 0.6001E+01
-0.260 0.1272E-01 0.6002E+01 -0.260 0.1273E-01 0.6002E+01
-0.230 0.1461E-01 0.6002E+01 -0.230 0.1461E-01 0.6002E+01
-0.200 0.1663E-01 0.6003E+01 -0.200 0.1663E-01 0.6003E+01
-0.170 0.1877E-01 0.6003E+01 -0.170 0.1878E-01 0.6003E+01
-0.140 0.2105E-01 0.6004E+01 -0.140 0.2105E-01 0.6004E+01
-0.110 0.2346E-01 0.6004E+01 -0.110 0.2346E-01 0.6004E+01
-0.080 0.2599E-01 0.6005E+01 -0.080 0.2600E-01 0.6005E+01
-0.050 0.2866E-01 0.6006E+01 -0.050 0.2866E-01 0.6006E+01
-0.020 0.3146E-01 0.6007E+01 -0.020 0.3146E-01 0.6007E+01
0.010 0.3438E-01 0.6008E+01 0.010 0.3439E-01 0.6008E+01
0.040 0.3744E-01 0.6009E+01 0.040 0.3745E-01 0.6009E+01
0.070 0.4063E-01 0.6010E+01 0.070 0.4064E-01 0.6010E+01
0.100 0.4395E-01 0.6011E+01 0.100 0.4395E-01 0.6011E+01
0.130 0.4740E-01 0.6013E+01 0.130 0.4740E-01 0.6013E+01
0.160 0.5097E-01 0.6014E+01 0.160 0.5098E-01 0.6014E+01
0.190 0.5468E-01 0.6016E+01 0.190 0.5469E-01 0.6016E+01
0.220 0.5852E-01 0.6018E+01 0.220 0.5853E-01 0.6018E+01
0.250 0.6249E-01 0.6019E+01 0.250 0.6250E-01 0.6019E+01
0.280 0.6659E-01 0.6021E+01 0.280 0.6660E-01 0.6021E+01
0.310 0.7082E-01 0.6023E+01 0.310 0.7083E-01 0.6023E+01
0.340 0.7518E-01 0.6026E+01 0.340 0.7519E-01 0.6026E+01
0.370 0.7967E-01 0.6028E+01 0.370 0.7968E-01 0.6028E+01
0.400 0.8429E-01 0.6030E+01 0.400 0.8430E-01 0.6030E+01
0.430 0.8904E-01 0.6033E+01 0.430 0.8906E-01 0.6033E+01
0.460 0.9392E-01 0.6036E+01 0.460 0.9394E-01 0.6036E+01
0.490 0.9894E-01 0.6039E+01 0.490 0.9895E-01 0.6039E+01
0.520 0.1041E+00 0.6042E+01 0.520 0.1041E+00 0.6042E+01
0.550 0.1093E+00 0.6045E+01 0.550 0.1094E+00 0.6045E+01
0.580 0.1147E+00 0.6048E+01 0.580 0.1148E+00 0.6048E+01
0.610 0.1203E+00 0.6052E+01 0.610 0.1203E+00 0.6052E+01
0.640 0.1259E+00 0.6055E+01 0.640 0.1260E+00 0.6055E+01
0.670 0.1317E+00 0.6059E+01 0.670 0.1318E+00 0.6059E+01
0.700 0.1377E+00 0.6063E+01 0.700 0.1377E+00 0.6063E+01
0.730 0.1437E+00 0.6068E+01 0.730 0.1437E+00 0.6068E+01
0.760 0.1499E+00 0.6072E+01 0.760 0.1499E+00 0.6072E+01
0.790 0.1562E+00 0.6077E+01 0.790 0.1562E+00 0.6077E+01
0.820 0.1627E+00 0.6081E+01 0.820 0.1627E+00 0.6081E+01
0.850 0.1692E+00 0.6086E+01 0.850 0.1693E+00 0.6086E+01
0.880 0.1759E+00 0.6091E+01 0.880 0.1760E+00 0.6091E+01
0.910 0.1828E+00 0.6097E+01 0.910 0.1828E+00 0.6097E+01
0.940 0.1897E+00 0.6102E+01 0.940 0.1898E+00 0.6102E+01
0.970 0.1968E+00 0.6108E+01 0.970 0.1969E+00 0.6108E+01
1.000 0.2041E+00 0.6114E+01 1.000 0.2041E+00 0.6114E+01
1.030 0.2114E+00 0.6120E+01 1.030 0.2114E+00 0.6120E+01
1.060 0.2189E+00 0.6127E+01 1.060 0.2189E+00 0.6127E+01
1.090 0.2265E+00 0.6134E+01 1.090 0.2265E+00 0.6134E+01
1.120 0.2343E+00 0.6141E+01 1.120 0.2343E+00 0.6141E+01
1.150 0.2421E+00 0.6148E+01 1.150 0.2422E+00 0.6148E+01
1.180 0.2501E+00 0.6155E+01 1.180 0.2502E+00 0.6155E+01
1.210 0.2583E+00 0.6163E+01 1.210 0.2583E+00 0.6163E+01
1.240 0.2665E+00 0.6171E+01 1.240 0.2666E+00 0.6171E+01
1.270 0.2749E+00 0.6179E+01 1.270 0.2750E+00 0.6179E+01
1.300 0.2835E+00 0.6187E+01 1.300 0.2835E+00 0.6187E+01
1.330 0.2921E+00 0.6196E+01 1.330 0.2922E+00 0.6196E+01
1.360 0.3009E+00 0.6205E+01 1.360 0.3010E+00 0.6205E+01
1.390 0.3098E+00 0.6214E+01 1.390 0.3099E+00 0.6214E+01
1.420 0.3189E+00 0.6223E+01 1.420 0.3189E+00 0.6223E+01
1.450 0.3281E+00 0.6233E+01 1.450 0.3281E+00 0.6233E+01
1.480 0.3374E+00 0.6243E+01 1.480 0.3374E+00 0.6243E+01
1.510 0.3468E+00 0.6253E+01 1.510 0.3468E+00 0.6253E+01
1.540 0.3564E+00 0.6264E+01 1.540 0.3564E+00 0.6264E+01
1.570 0.3661E+00 0.6274E+01 1.570 0.3661E+00 0.6275E+01
1.600 0.3759E+00 0.6286E+01 1.600 0.3760E+00 0.6286E+01
1.630 0.3859E+00 0.6297E+01 1.630 0.3859E+00 0.6297E+01
1.660 0.3960E+00 0.6309E+01 1.660 0.3960E+00 0.6309E+01
1.690 0.4062E+00 0.6321E+01 1.690 0.4062E+00 0.6321E+01
1.720 0.4165E+00 0.6333E+01 1.720 0.4166E+00 0.6333E+01
1.750 0.4270E+00 0.6346E+01 1.750 0.4271E+00 0.6346E+01
1.780 0.4376E+00 0.6359E+01 1.780 0.4377E+00 0.6359E+01
1.810 0.4484E+00 0.6372E+01 1.810 0.4484E+00 0.6372E+01
1.840 0.4592E+00 0.6386E+01 1.840 0.4593E+00 0.6386E+01
1.870 0.4702E+00 0.6400E+01 1.870 0.4703E+00 0.6400E+01
1.900 0.4814E+00 0.6414E+01 1.900 0.4814E+00 0.6414E+01
1.930 0.4926E+00 0.6428E+01 1.930 0.4927E+00 0.6429E+01
1.960 0.5040E+00 0.6443E+01 1.960 0.5041E+00 0.6443E+01
1.990 0.5155E+00 0.6459E+01 1.990 0.5156E+00 0.6459E+01
2.020 0.5272E+00 0.6474E+01 2.020 0.5273E+00 0.6474E+01
2.050 0.5390E+00 0.6490E+01 2.050 0.5390E+00 0.6490E+01
2.080 0.5509E+00 0.6507E+01 2.080 0.5510E+00 0.6507E+01
2.110 0.5629E+00 0.6523E+01 2.110 0.5630E+00 0.6523E+01
2.140 0.5751E+00 0.6540E+01 2.140 0.5752E+00 0.6541E+01
2.170 0.5874E+00 0.6558E+01 2.170 0.5875E+00 0.6558E+01
2.200 0.5998E+00 0.6576E+01 2.200 0.5999E+00 0.6576E+01
2.230 0.6124E+00 0.6594E+01 2.230 0.6125E+00 0.6594E+01
2.260 0.6251E+00 0.6612E+01 2.260 0.6252E+00 0.6613E+01
2.290 0.6379E+00 0.6631E+01 2.290 0.6380E+00 0.6632E+01
2.320 0.6509E+00 0.6651E+01 2.320 0.6510E+00 0.6651E+01
2.350 0.6640E+00 0.6670E+01 2.350 0.6641E+00 0.6671E+01
2.380 0.6772E+00 0.6691E+01 2.380 0.6773E+00 0.6691E+01
2.410 0.6905E+00 0.6711E+01 2.410 0.6906E+00 0.6711E+01
2.440 0.7040E+00 0.6732E+01 2.440 0.7041E+00 0.6732E+01
2.470 0.7176E+00 0.6753E+01 2.470 0.7177E+00 0.6753E+01
2.500 0.7314E+00 0.6775E+01 2.500 0.7314E+00 0.6775E+01
2.530 0.7452E+00 0.6797E+01 2.530 0.7453E+00 0.6797E+01
2.560 0.7592E+00 0.6820E+01 2.560 0.7593E+00 0.6820E+01
2.590 0.7733E+00 0.6843E+01 2.590 0.7734E+00 0.6843E+01
2.620 0.7876E+00 0.6866E+01 2.620 0.7877E+00 0.6866E+01
2.650 0.8020E+00 0.6890E+01 2.650 0.8021E+00 0.6890E+01
2.680 0.8165E+00 0.6914E+01 2.680 0.8166E+00 0.6914E+01
2.710 0.8312E+00 0.6939E+01 2.710 0.8313E+00 0.6939E+01
2.740 0.8459E+00 0.6964E+01 2.740 0.8460E+00 0.6964E+01
2.770 0.7422E+01 0.7617E+01 2.770 0.7408E+01 0.7618E+01
2.800 0.4822E+01 0.7800E+01 2.800 0.4811E+01 0.7800E+01
2.830 0.2781E+01 0.7912E+01 2.830 0.2772E+01 0.7913E+01
2.860 0.1298E+01 0.7972E+01 2.860 0.1292E+01 0.7972E+01
2.890 0.3730E+00 0.7996E+01 2.890 0.3701E+00 0.7996E+01
2.920 0.6775E-02 0.8000E+01 2.920 0.6406E-02 0.8000E+01
2.950 0.4296E-06 0.8000E+01 2.950 0.6159E-06 0.8000E+01
2.980 0.3400E-03 0.8000E+01 2.980 0.3448E-03 0.8000E+01
3.010 0.1312E-02 0.8000E+01 3.010 0.1322E-02 0.8000E+01
3.040 0.2917E-02 0.8000E+01 3.040 0.2931E-02 0.8000E+01
3.070 0.5154E-02 0.8000E+01 3.070 0.5173E-02 0.8000E+01
3.100 0.8023E-02 0.8000E+01 3.100 0.8047E-02 0.8000E+01
3.130 0.1153E-01 0.8001E+01 3.130 0.1155E-01 0.8001E+01
3.160 0.1566E-01 0.8001E+01 3.160 0.1569E-01 0.8001E+01
3.190 0.2043E-01 0.8002E+01 3.190 0.2047E-01 0.8002E+01
3.220 0.2583E-01 0.8002E+01 3.220 0.2587E-01 0.8002E+01
3.250 0.3186E-01 0.8003E+01 3.250 0.3191E-01 0.8003E+01
3.280 0.3852E-01 0.8004E+01 3.280 0.3858E-01 0.8004E+01
3.310 0.4582E-01 0.8006E+01 3.310 0.4588E-01 0.8006E+01
3.340 0.5375E-01 0.8007E+01 3.340 0.5381E-01 0.8007E+01
3.370 0.6231E-01 0.8009E+01 3.370 0.6238E-01 0.8009E+01
3.400 0.7151E-01 0.8011E+01 3.400 0.7158E-01 0.8011E+01
3.430 0.8133E-01 0.8013E+01 3.430 0.8141E-01 0.8013E+01
3.460 0.9179E-01 0.8016E+01 3.460 0.9188E-01 0.8016E+01
3.490 0.1029E+00 0.8019E+01 3.490 0.1030E+00 0.8019E+01
3.520 0.1146E+00 0.8022E+01 3.520 0.1147E+00 0.8022E+01
3.550 0.1270E+00 0.8025E+01 3.550 0.1271E+00 0.8025E+01
3.580 0.1400E+00 0.8029E+01 3.580 0.1401E+00 0.8029E+01
3.610 0.1536E+00 0.8034E+01 3.610 0.1537E+00 0.8034E+01
3.640 0.1678E+00 0.8039E+01 3.640 0.1680E+00 0.8039E+01
3.670 0.1827E+00 0.8044E+01 3.670 0.1828E+00 0.8044E+01
3.700 0.1982E+00 0.8050E+01 3.700 0.1984E+00 0.8050E+01
3.730 0.2144E+00 0.8056E+01 3.730 0.2145E+00 0.8056E+01
3.760 0.2312E+00 0.8063E+01 3.760 0.2313E+00 0.8063E+01
3.790 0.2486E+00 0.8070E+01 3.790 0.2487E+00 0.8070E+01
3.820 0.2666E+00 0.8077E+01 3.820 0.2668E+00 0.8077E+01
3.850 0.2853E+00 0.8086E+01 3.850 0.2855E+00 0.8086E+01
3.880 0.3046E+00 0.8095E+01 3.880 0.3048E+00 0.8095E+01
3.910 0.3246E+00 0.8104E+01 3.910 0.3248E+00 0.8104E+01
3.940 0.3452E+00 0.8114E+01 3.940 0.3453E+00 0.8114E+01
3.970 0.3664E+00 0.8125E+01 3.970 0.3666E+00 0.8125E+01
4.000 0.3882E+00 0.8136E+01 4.000 0.3884E+00 0.8136E+01
4.030 0.4107E+00 0.8148E+01 4.030 0.4109E+00 0.8148E+01
4.060 0.4338E+00 0.8161E+01 4.060 0.4340E+00 0.8161E+01
4.090 0.4576E+00 0.8174E+01 4.090 0.4578E+00 0.8174E+01
4.120 0.4819E+00 0.8188E+01 4.120 0.4821E+00 0.8188E+01
4.150 0.5069E+00 0.8203E+01 4.150 0.5072E+00 0.8203E+01
4.180 0.5326E+00 0.8219E+01 4.180 0.5328E+00 0.8219E+01
4.210 0.5588E+00 0.8235E+01 4.210 0.5591E+00 0.8235E+01
4.240 0.5858E+00 0.8252E+01 4.240 0.5860E+00 0.8252E+01
4.270 0.6133E+00 0.8270E+01 4.270 0.6135E+00 0.8270E+01
4.300 0.6415E+00 0.8289E+01 4.300 0.6417E+00 0.8289E+01
4.330 0.6703E+00 0.8309E+01 4.330 0.6705E+00 0.8309E+01
4.360 0.6997E+00 0.8329E+01 4.360 0.7000E+00 0.8329E+01
4.390 0.7298E+00 0.8351E+01 4.390 0.7300E+00 0.8351E+01
4.420 0.7605E+00 0.8373E+01 4.420 0.7607E+00 0.8373E+01
4.450 0.7918E+00 0.8396E+01 4.450 0.7921E+00 0.8396E+01
4.480 0.8238E+00 0.8420E+01 4.480 0.8240E+00 0.8421E+01
4.510 0.8564E+00 0.8446E+01 4.510 0.8567E+00 0.8446E+01
4.540 0.8896E+00 0.8472E+01 4.540 0.8899E+00 0.8472E+01
4.570 0.9234E+00 0.8499E+01 4.570 0.9238E+00 0.8499E+01
4.600 0.9579E+00 0.8527E+01 4.600 0.9583E+00 0.8527E+01
4.630 0.9931E+00 0.8556E+01 4.630 0.9934E+00 0.8557E+01
4.660 0.1029E+01 0.8587E+01 4.660 0.1029E+01 0.8587E+01
4.690 0.1065E+01 0.8618E+01 4.690 0.1066E+01 0.8618E+01
4.720 0.1102E+01 0.8651E+01 4.720 0.1103E+01 0.8651E+01
4.750 0.1140E+01 0.8684E+01 4.750 0.1140E+01 0.8685E+01
4.780 0.1178E+01 0.8719E+01 4.780 0.1179E+01 0.8719E+01
4.810 0.4738E+01 0.8765E+01 4.810 0.4971E+01 0.8766E+01
4.840 0.1381E+01 0.9298E+01 4.840 0.1381E+01 0.9298E+01
4.870 0.1327E+01 0.9339E+01 4.870 0.1327E+01 0.9339E+01
4.900 0.1275E+01 0.9378E+01 4.900 0.1274E+01 0.9378E+01
4.930 0.1223E+01 0.9415E+01 4.930 0.1223E+01 0.9415E+01
4.960 0.1172E+01 0.9451E+01 4.960 0.1172E+01 0.9451E+01
4.990 0.1123E+01 0.9485E+01 4.990 0.1122E+01 0.9486E+01
5.020 0.1074E+01 0.9518E+01 5.020 0.1074E+01 0.9519E+01
5.050 0.1027E+01 0.9550E+01 5.050 0.1027E+01 0.9550E+01
5.080 0.9806E+00 0.9580E+01 5.080 0.9803E+00 0.9580E+01
5.110 0.9354E+00 0.9609E+01 5.110 0.9350E+00 0.9609E+01
5.140 0.8912E+00 0.9636E+01 5.140 0.8908E+00 0.9636E+01
5.170 0.8481E+00 0.9662E+01 5.170 0.8477E+00 0.9662E+01
5.200 0.8060E+00 0.9687E+01 5.200 0.8057E+00 0.9687E+01
5.230 0.7650E+00 0.9711E+01 5.230 0.7647E+00 0.9711E+01
5.260 0.7251E+00 0.9733E+01 5.260 0.7248E+00 0.9733E+01
5.290 0.6863E+00 0.9754E+01 5.290 0.6859E+00 0.9754E+01
5.320 0.6485E+00 0.9774E+01 5.320 0.6482E+00 0.9774E+01
5.350 0.6118E+00 0.9793E+01 5.350 0.6115E+00 0.9793E+01
5.380 0.5761E+00 0.9811E+01 5.380 0.5758E+00 0.9811E+01
5.410 0.5416E+00 0.9828E+01 5.410 0.5413E+00 0.9828E+01
5.440 0.5081E+00 0.9843E+01 5.440 0.5078E+00 0.9844E+01
5.470 0.4757E+00 0.9858E+01 5.470 0.4754E+00 0.9858E+01
5.500 0.4443E+00 0.9872E+01 5.500 0.4440E+00 0.9872E+01
5.530 0.4140E+00 0.9885E+01 5.530 0.4137E+00 0.9885E+01
5.560 0.3848E+00 0.9897E+01 5.560 0.3845E+00 0.9897E+01
5.590 0.3566E+00 0.9908E+01 5.590 0.3564E+00 0.9908E+01
5.620 0.3295E+00 0.9918E+01 5.620 0.3293E+00 0.9918E+01
5.650 0.3035E+00 0.9928E+01 5.650 0.3033E+00 0.9928E+01
5.680 0.2786E+00 0.9936E+01 5.680 0.2784E+00 0.9936E+01
5.710 0.2547E+00 0.9944E+01 5.710 0.2545E+00 0.9944E+01
5.740 0.2319E+00 0.9952E+01 5.740 0.2317E+00 0.9952E+01
5.770 0.2102E+00 0.9958E+01 5.770 0.2100E+00 0.9958E+01
5.800 0.1895E+00 0.9964E+01 5.800 0.1893E+00 0.9964E+01
5.830 0.1699E+00 0.9970E+01 5.830 0.1697E+00 0.9970E+01
5.860 0.1514E+00 0.9975E+01 5.860 0.1512E+00 0.9975E+01
5.890 0.1339E+00 0.9979E+01 5.890 0.1338E+00 0.9979E+01
5.920 0.1175E+00 0.9983E+01 5.920 0.1174E+00 0.9983E+01
5.950 0.1022E+00 0.9986E+01 5.950 0.1021E+00 0.9986E+01
5.980 0.8797E-01 0.9989E+01 5.980 0.8783E-01 0.9989E+01
6.010 0.7479E-01 0.9991E+01 6.010 0.7466E-01 0.9991E+01
6.040 0.6267E-01 0.9993E+01 6.040 0.6256E-01 0.9993E+01
6.070 0.5163E-01 0.9995E+01 6.070 0.5153E-01 0.9995E+01
6.100 0.4166E-01 0.9996E+01 6.100 0.4156E-01 0.9996E+01
6.130 0.3275E-01 0.9997E+01 6.130 0.3267E-01 0.9997E+01
6.160 0.2492E-01 0.9998E+01 6.160 0.2485E-01 0.9998E+01
6.190 0.1815E-01 0.9999E+01 6.190 0.1809E-01 0.9999E+01
6.220 0.1246E-01 0.9999E+01 6.220 0.1240E-01 0.9999E+01
6.250 0.7831E-02 0.1000E+02 6.250 0.7788E-02 0.1000E+02
6.280 0.4273E-02 0.1000E+02 6.280 0.4242E-02 0.1000E+02
6.310 0.1785E-02 0.1000E+02 6.310 0.1764E-02 0.1000E+02
6.340 0.3658E-03 0.1000E+02 6.340 0.3565E-03 0.1000E+02
6.370 0.0000E+00 0.1000E+02 6.370 0.0000E+00 0.1000E+02
6.400 0.0000E+00 0.1000E+02 6.400 0.0000E+00 0.1000E+02
6.430 0.9399E-03 0.1000E+02 6.430 0.9600E-03 0.1000E+02
6.460 0.4450E-02 0.1000E+02 6.460 0.4493E-02 0.1000E+02
6.490 0.1056E-01 0.1000E+02 6.490 0.1062E-01 0.1000E+02
6.520 0.1927E-01 0.1000E+02 6.520 0.1935E-01 0.1000E+02
6.550 0.3058E-01 0.1000E+02 6.550 0.3068E-01 0.1000E+02
6.580 0.4449E-01 0.1000E+02 6.580 0.4461E-01 0.1000E+02
6.610 0.6100E-01 0.1000E+02 6.610 0.6114E-01 0.1000E+02
6.640 0.8010E-01 0.1001E+02 6.640 0.8026E-01 0.1001E+02
6.670 0.1018E+00 0.1001E+02 6.670 0.1020E+00 0.1001E+02
6.700 0.1261E+00 0.1001E+02 6.700 0.1263E+00 0.1001E+02
6.730 0.1530E+00 0.1002E+02 6.730 0.1532E+00 0.1002E+02
6.760 0.1825E+00 0.1002E+02 6.760 0.1827E+00 0.1002E+02
6.790 0.2146E+00 0.1003E+02 6.790 0.2149E+00 0.1003E+02
6.820 0.2493E+00 0.1003E+02 6.820 0.2496E+00 0.1003E+02
6.850 0.2867E+00 0.1004E+02 6.850 0.2869E+00 0.1004E+02
6.880 0.3266E+00 0.1005E+02 6.880 0.3268E+00 0.1005E+02
6.910 0.3691E+00 0.1006E+02 6.910 0.3693E+00 0.1006E+02
6.940 0.4142E+00 0.1007E+02 6.940 0.4144E+00 0.1007E+02
6.970 0.4619E+00 0.1009E+02 6.970 0.4621E+00 0.1009E+02
7.000 0.5122E+00 0.1010E+02 7.000 0.5125E+00 0.1010E+02
7.030 0.5651E+00 0.1012E+02 7.030 0.5654E+00 0.1012E+02
7.060 0.6206E+00 0.1014E+02 7.060 0.6209E+00 0.1014E+02
7.090 0.6787E+00 0.1016E+02 7.090 0.6790E+00 0.1016E+02
7.120 0.7394E+00 0.1018E+02 7.120 0.7397E+00 0.1018E+02
7.150 0.8027E+00 0.1020E+02 7.150 0.8030E+00 0.1020E+02
7.180 0.8686E+00 0.1022E+02 7.180 0.8689E+00 0.1022E+02
7.210 0.9371E+00 0.1025E+02 7.210 0.9374E+00 0.1025E+02
7.240 0.1008E+01 0.1028E+02 7.240 0.1008E+01 0.1028E+02
7.270 0.1082E+01 0.1031E+02 7.270 0.1082E+01 0.1031E+02
7.300 0.1158E+01 0.1035E+02 7.300 0.1158E+01 0.1035E+02
7.330 0.1237E+01 0.1038E+02 7.330 0.1237E+01 0.1038E+02
7.360 0.1319E+01 0.1042E+02 7.360 0.1319E+01 0.1042E+02
7.390 0.1403E+01 0.1046E+02 7.390 0.1403E+01 0.1046E+02
7.420 0.1489E+01 0.1050E+02 7.420 0.1490E+01 0.1050E+02
7.450 0.1579E+01 0.1055E+02 7.450 0.1579E+01 0.1055E+02
7.480 0.1671E+01 0.1060E+02 7.480 0.1671E+01 0.1060E+02
7.510 0.1765E+01 0.1065E+02 7.510 0.1765E+01 0.1065E+02
7.540 0.1862E+01 0.1070E+02 7.540 0.1862E+01 0.1071E+02
7.570 0.1962E+01 0.1076E+02 7.570 0.1962E+01 0.1076E+02
7.600 0.2064E+01 0.1082E+02 7.600 0.2064E+01 0.1082E+02
7.630 0.1566E+01 0.1138E+02 7.630 0.1567E+01 0.1138E+02
7.660 0.1555E+01 0.1142E+02 7.660 0.1555E+01 0.1142E+02
7.690 0.1545E+01 0.1147E+02 7.690 0.1545E+01 0.1147E+02
7.720 0.1536E+01 0.1152E+02 7.720 0.1536E+01 0.1152E+02
7.750 0.1528E+01 0.1156E+02 7.750 0.1528E+01 0.1156E+02
7.780 0.1520E+01 0.1161E+02 7.780 0.1521E+01 0.1161E+02
7.810 0.1514E+01 0.1165E+02 7.810 0.1515E+01 0.1165E+02
7.840 0.1509E+01 0.1170E+02 7.840 0.1509E+01 0.1170E+02
7.870 0.1505E+01 0.1175E+02 7.870 0.1505E+01 0.1175E+02
7.900 0.1501E+01 0.1179E+02 7.900 0.1502E+01 0.1179E+02
7.930 0.1499E+01 0.1184E+02 7.930 0.1499E+01 0.1184E+02
7.960 0.1498E+01 0.1188E+02 7.960 0.1498E+01 0.1188E+02
7.990 0.1497E+01 0.1192E+02 7.990 0.1498E+01 0.1193E+02
8.020 0.1498E+01 0.1197E+02 8.020 0.1498E+01 0.1197E+02
8.050 0.1500E+01 0.1201E+02 8.050 0.1500E+01 0.1202E+02
8.080 0.1502E+01 0.1206E+02 8.080 0.1503E+01 0.1206E+02
8.110 0.1506E+01 0.1211E+02 8.110 0.1506E+01 0.1211E+02
8.140 0.1510E+01 0.1215E+02 8.140 0.1511E+01 0.1215E+02
8.170 0.1516E+01 0.1220E+02 8.170 0.1516E+01 0.1220E+02
8.200 0.1522E+01 0.1224E+02 8.200 0.1523E+01 0.1224E+02
8.230 0.1530E+01 0.1229E+02 8.230 0.1530E+01 0.1229E+02
8.260 0.1538E+01 0.1233E+02 8.260 0.1539E+01 0.1233E+02
8.290 0.1548E+01 0.1238E+02 8.290 0.1548E+01 0.1238E+02
8.320 0.1558E+01 0.1243E+02 8.320 0.1559E+01 0.1243E+02
8.350 0.1570E+01 0.1247E+02 8.350 0.1570E+01 0.1247E+02
8.380 0.1582E+01 0.1252E+02 8.380 0.1582E+01 0.1252E+02
8.410 0.1595E+01 0.1257E+02 8.410 0.1596E+01 0.1257E+02
8.440 0.1698E+02 0.1276E+02 8.440 0.1738E+02 0.1276E+02
8.470 0.1990E+01 0.1317E+02 8.470 0.1990E+01 0.1317E+02
8.500 0.2016E+01 0.1323E+02 8.500 0.2017E+01 0.1323E+02
8.530 0.2106E+01 0.1329E+02 8.530 0.2107E+01 0.1329E+02
8.560 0.2258E+01 0.1336E+02 8.560 0.2260E+01 0.1336E+02
8.590 0.2473E+01 0.1343E+02 8.590 0.2476E+01 0.1343E+02
8.620 0.2751E+01 0.1351E+02 8.620 0.2754E+01 0.1351E+02
8.650 0.3091E+01 0.1359E+02 8.650 0.3096E+01 0.1359E+02
8.680 0.3495E+01 0.1369E+02 8.680 0.3500E+01 0.1369E+02
8.710 0.3961E+01 0.1380E+02 8.710 0.3967E+01 0.1380E+02
8.740 0.4490E+01 0.1393E+02 8.740 0.4497E+01 0.1393E+02
8.770 0.5082E+01 0.1407E+02 8.770 0.5090E+01 0.1407E+02
8.800 0.5737E+01 0.1424E+02 8.800 0.5745E+01 0.1424E+02
8.830 0.7186E+01 0.1487E+02 8.830 0.6614E+01 0.1488E+02
8.860 0.3431E+01 0.1498E+02 8.860 0.3428E+01 0.1498E+02
8.890 0.3222E+01 0.1508E+02 8.890 0.3219E+01 0.1508E+02
8.920 0.3020E+01 0.1518E+02 8.920 0.3018E+01 0.1518E+02
8.950 0.2827E+01 0.1526E+02 8.950 0.2825E+01 0.1527E+02
8.980 0.2642E+01 0.1535E+02 8.980 0.2640E+01 0.1535E+02
9.010 0.2465E+01 0.1542E+02 9.010 0.2463E+01 0.1542E+02
9.040 0.2296E+01 0.1549E+02 9.040 0.2294E+01 0.1550E+02
9.070 0.2135E+01 0.1556E+02 9.070 0.2133E+01 0.1556E+02
9.100 0.1981E+01 0.1562E+02 9.100 0.1980E+01 0.1562E+02
9.130 0.1836E+01 0.1568E+02 9.130 0.1834E+01 0.1568E+02
9.160 0.1699E+01 0.1573E+02 9.160 0.1697E+01 0.1573E+02
9.190 0.1570E+01 0.1578E+02 9.190 0.1568E+01 0.1578E+02
9.220 0.1448E+01 0.1583E+02 9.220 0.1447E+01 0.1583E+02
9.250 0.1335E+01 0.1587E+02 9.250 0.1334E+01 0.1587E+02
9.280 0.1230E+01 0.1591E+02 9.280 0.1228E+01 0.1591E+02
9.310 0.1132E+01 0.1594E+02 9.310 0.1131E+01 0.1594E+02
9.340 0.1043E+01 0.1598E+02 9.340 0.1042E+01 0.1598E+02
9.370 0.9616E+00 0.1601E+02 9.370 0.9607E+00 0.1601E+02
9.400 0.8882E+00 0.1603E+02 9.400 0.8874E+00 0.1603E+02
9.430 0.8228E+00 0.1606E+02 9.430 0.8221E+00 0.1606E+02
9.460 0.7654E+00 0.1608E+02 9.460 0.7647E+00 0.1608E+02
9.490 0.7159E+00 0.1610E+02 9.490 0.7154E+00 0.1611E+02
9.520 0.6745E+00 0.1613E+02 9.520 0.6740E+00 0.1613E+02
9.550 0.6410E+00 0.1615E+02 9.550 0.6407E+00 0.1615E+02
9.580 0.6155E+00 0.1616E+02 9.580 0.6153E+00 0.1616E+02
9.610 0.5980E+00 0.1618E+02 9.610 0.5979E+00 0.1618E+02
9.640 0.5885E+00 0.1620E+02 9.640 0.5885E+00 0.1620E+02
9.670 0.5870E+00 0.1622E+02 9.670 0.5870E+00 0.1622E+02
9.700 0.5934E+00 0.1624E+02 9.700 0.5936E+00 0.1624E+02
9.730 0.6079E+00 0.1625E+02 9.730 0.6081E+00 0.1625E+02
9.760 0.6300E+00 0.1627E+02 9.760 0.6304E+00 0.1627E+02
9.790 0.6587E+00 0.1629E+02 9.790 0.6591E+00 0.1629E+02
9.820 0.6888E+00 0.1631E+02 9.820 0.6892E+00 0.1631E+02
9.850 0.7196E+00 0.1633E+02 9.850 0.7200E+00 0.1633E+02
9.880 0.7511E+00 0.1635E+02 9.880 0.7515E+00 0.1636E+02
9.910 0.7832E+00 0.1638E+02 9.910 0.7837E+00 0.1638E+02
9.940 0.8160E+00 0.1640E+02 9.940 0.8165E+00 0.1640E+02
9.970 0.8495E+00 0.1643E+02 9.970 0.8500E+00 0.1643E+02
10.000 0.8837E+00 0.1645E+02 10.000 0.8841E+00 0.1645E+02
10.030 0.9185E+00 0.1648E+02 10.030 0.9190E+00 0.1648E+02
10.060 0.9540E+00 0.1651E+02 10.060 0.9545E+00 0.1651E+02
10.090 0.9902E+00 0.1654E+02 10.090 0.9907E+00 0.1654E+02
10.120 0.1027E+01 0.1657E+02 10.120 0.1028E+01 0.1657E+02
10.150 0.1275E+02 0.1669E+02 10.150 0.1315E+02 0.1670E+02
10.180 0.4328E+00 0.1712E+02 10.180 0.4327E+00 0.1712E+02
10.210 0.4286E+00 0.1713E+02 10.210 0.4285E+00 0.1713E+02
10.240 0.4243E+00 0.1714E+02 10.240 0.4243E+00 0.1714E+02
10.270 0.4201E+00 0.1716E+02 10.270 0.4201E+00 0.1716E+02
10.300 0.4160E+00 0.1717E+02 10.300 0.4159E+00 0.1717E+02
10.330 0.4118E+00 0.1718E+02 10.330 0.4117E+00 0.1718E+02
10.360 0.4077E+00 0.1719E+02 10.360 0.4076E+00 0.1719E+02
10.390 0.4035E+00 0.1721E+02 10.390 0.4035E+00 0.1721E+02
10.420 0.3995E+00 0.1722E+02 10.420 0.3994E+00 0.1722E+02
10.450 0.3954E+00 0.1723E+02 10.450 0.3953E+00 0.1723E+02
10.480 0.3913E+00 0.1724E+02 10.480 0.3913E+00 0.1724E+02
10.510 0.3873E+00 0.1725E+02 10.510 0.3872E+00 0.1725E+02
10.540 0.3833E+00 0.1727E+02 10.540 0.3832E+00 0.1727E+02
10.570 0.3793E+00 0.1728E+02 10.570 0.3792E+00 0.1728E+02
10.600 0.3753E+00 0.1729E+02 10.600 0.3753E+00 0.1729E+02
10.630 0.3714E+00 0.1730E+02 10.630 0.3713E+00 0.1730E+02
10.660 0.3674E+00 0.1731E+02 10.660 0.3674E+00 0.1731E+02
10.690 0.3635E+00 0.1732E+02 10.690 0.3635E+00 0.1732E+02
10.720 0.3597E+00 0.1733E+02 10.720 0.3596E+00 0.1733E+02
10.750 0.3558E+00 0.1734E+02 10.750 0.3557E+00 0.1734E+02
10.780 0.3519E+00 0.1735E+02 10.780 0.3519E+00 0.1735E+02
10.810 0.3481E+00 0.1736E+02 10.810 0.3481E+00 0.1736E+02
10.840 0.3443E+00 0.1737E+02 10.840 0.3443E+00 0.1737E+02
10.870 0.3405E+00 0.1738E+02 10.870 0.3405E+00 0.1739E+02
10.900 0.3368E+00 0.1740E+02 10.900 0.3367E+00 0.1740E+02
10.930 0.3330E+00 0.1741E+02 10.930 0.3330E+00 0.1741E+02
10.960 0.3293E+00 0.1742E+02 10.960 0.3293E+00 0.1742E+02
10.990 0.3256E+00 0.1742E+02 10.990 0.3256E+00 0.1742E+02
11.020 0.3219E+00 0.1743E+02 11.020 0.3219E+00 0.1743E+02
11.050 0.3183E+00 0.1744E+02 11.050 0.3182E+00 0.1744E+02
11.080 0.3147E+00 0.1745E+02 11.080 0.3146E+00 0.1745E+02
11.110 0.3110E+00 0.1746E+02 11.110 0.3110E+00 0.1746E+02
11.140 0.3074E+00 0.1747E+02 11.140 0.3074E+00 0.1747E+02
11.170 0.3039E+00 0.1748E+02 11.170 0.3038E+00 0.1748E+02
11.200 0.3003E+00 0.1749E+02 11.200 0.3003E+00 0.1749E+02
11.230 0.2968E+00 0.1750E+02 11.230 0.2967E+00 0.1750E+02
11.260 0.2933E+00 0.1751E+02 11.260 0.2932E+00 0.1751E+02
11.290 0.2898E+00 0.1752E+02 11.290 0.2897E+00 0.1752E+02
11.320 0.2863E+00 0.1753E+02 11.320 0.2863E+00 0.1753E+02
11.350 0.2829E+00 0.1753E+02 11.350 0.2828E+00 0.1753E+02
11.380 0.2795E+00 0.1754E+02 11.380 0.2794E+00 0.1754E+02
11.410 0.2760E+00 0.1755E+02 11.410 0.2760E+00 0.1755E+02
11.440 0.2727E+00 0.1756E+02 11.440 0.2726E+00 0.1756E+02
11.470 0.2693E+00 0.1757E+02 11.470 0.2693E+00 0.1757E+02
11.500 0.2660E+00 0.1758E+02 11.500 0.2659E+00 0.1758E+02
11.530 0.2626E+00 0.1758E+02 11.530 0.2626E+00 0.1758E+02
11.560 0.2593E+00 0.1759E+02 11.560 0.2593E+00 0.1759E+02
11.590 0.2561E+00 0.1760E+02 11.590 0.2560E+00 0.1760E+02
11.620 0.2528E+00 0.1761E+02 11.620 0.2527E+00 0.1761E+02
11.650 0.2496E+00 0.1761E+02 11.650 0.2495E+00 0.1761E+02
11.680 0.2463E+00 0.1762E+02 11.680 0.2463E+00 0.1762E+02
11.710 0.2431E+00 0.1763E+02 11.710 0.2431E+00 0.1763E+02
11.740 0.2400E+00 0.1764E+02 11.740 0.2399E+00 0.1764E+02
11.770 0.2368E+00 0.1764E+02 11.770 0.2368E+00 0.1764E+02
11.800 0.2337E+00 0.1765E+02 11.800 0.2336E+00 0.1765E+02
11.830 0.2306E+00 0.1766E+02 11.830 0.2305E+00 0.1766E+02
11.860 0.2275E+00 0.1766E+02 11.860 0.2274E+00 0.1766E+02
11.890 0.2244E+00 0.1767E+02 11.890 0.2244E+00 0.1767E+02
11.920 0.2213E+00 0.1768E+02 11.920 0.2213E+00 0.1768E+02
11.950 0.2183E+00 0.1768E+02 11.950 0.2183E+00 0.1768E+02
11.980 0.2153E+00 0.1769E+02 11.980 0.2153E+00 0.1769E+02
12.010 0.2123E+00 0.1770E+02 12.010 0.2123E+00 0.1770E+02
12.040 0.2094E+00 0.1770E+02 12.040 0.2093E+00 0.1770E+02
12.070 0.2064E+00 0.1771E+02 12.070 0.2064E+00 0.1771E+02
12.100 0.2035E+00 0.1772E+02 12.100 0.2034E+00 0.1772E+02
12.130 0.2006E+00 0.1772E+02 12.130 0.2005E+00 0.1772E+02
12.160 0.1977E+00 0.1773E+02 12.160 0.1977E+00 0.1773E+02
12.190 0.1948E+00 0.1773E+02 12.190 0.1948E+00 0.1773E+02
12.220 0.1920E+00 0.1774E+02 12.220 0.1920E+00 0.1774E+02
12.250 0.1892E+00 0.1775E+02 12.250 0.1891E+00 0.1775E+02
12.280 0.1864E+00 0.1775E+02 12.280 0.1863E+00 0.1775E+02
12.310 0.1836E+00 0.1776E+02 12.310 0.1836E+00 0.1776E+02
12.340 0.1808E+00 0.1776E+02 12.340 0.1808E+00 0.1776E+02
12.370 0.1781E+00 0.1777E+02 12.370 0.1781E+00 0.1777E+02
12.400 0.1754E+00 0.1777E+02 12.400 0.1753E+00 0.1777E+02
12.430 0.1727E+00 0.1778E+02 12.430 0.1727E+00 0.1778E+02
12.460 0.1700E+00 0.1778E+02 12.460 0.1700E+00 0.1778E+02
12.490 0.1674E+00 0.1779E+02 12.490 0.1673E+00 0.1779E+02
12.520 0.1647E+00 0.1779E+02 12.520 0.1647E+00 0.1779E+02
12.550 0.1621E+00 0.1780E+02 12.550 0.1621E+00 0.1780E+02
12.580 0.1595E+00 0.1780E+02 12.580 0.1595E+00 0.1780E+02
12.610 0.1569E+00 0.1781E+02 12.610 0.1569E+00 0.1781E+02
12.640 0.1544E+00 0.1781E+02 12.640 0.1544E+00 0.1781E+02
12.670 0.1519E+00 0.1782E+02 12.670 0.1518E+00 0.1782E+02
12.700 0.1494E+00 0.1782E+02 12.700 0.1493E+00 0.1782E+02
12.730 0.1469E+00 0.1783E+02 12.730 0.1468E+00 0.1783E+02
12.760 0.1444E+00 0.1783E+02 12.760 0.1444E+00 0.1783E+02
12.790 0.1420E+00 0.1783E+02 12.790 0.1419E+00 0.1783E+02
12.820 0.1395E+00 0.1784E+02 12.820 0.1395E+00 0.1784E+02
12.850 0.1371E+00 0.1784E+02 12.850 0.1371E+00 0.1784E+02
12.880 0.1348E+00 0.1785E+02 12.880 0.1347E+00 0.1785E+02
12.910 0.1324E+00 0.1785E+02 12.910 0.1324E+00 0.1785E+02
12.940 0.1301E+00 0.1785E+02 12.940 0.1300E+00 0.1785E+02
12.970 0.1277E+00 0.1786E+02 12.970 0.1277E+00 0.1786E+02
13.000 0.1254E+00 0.1786E+02 13.000 0.1254E+00 0.1786E+02

512
python/converters/plovasp/examples/simple/EIGENVAL
View File

@ -6,273 +6,273 @@
11 8 32 11 8 32
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.1250000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.1250000E+00
1 -31.020680 1.000000 1 -31.021111 1.000000
2 -31.019871 1.000000 2 -31.020263 1.000000
3 -30.942746 1.000000 3 -30.943203 1.000000
4 -0.679374 1.000000 4 -0.679392 1.000000
5 6.364813 1.000000 5 6.364495 1.000000
6 6.404261 1.415536 6 6.403995 1.415392
7 6.405444 0.656204 7 6.405118 0.656552
8 8.427772 0.000000 8 8.427467 0.000000
9 8.462772 0.000000 9 8.462406 0.000000
10 27.065198 0.000000 10 27.065256 0.000000
11 27.079724 0.000000 11 27.079669 0.000000
12 27.084747 0.000000 12 27.084811 0.000000
13 33.492581 0.000000 13 33.492553 0.000000
14 33.508078 0.000000 14 33.508012 0.000000
15 36.343462 0.000000 15 36.342831 0.000000
16 37.462385 0.000000 16 37.462161 0.000000
17 37.501008 0.000000 17 37.500834 0.000000
18 37.516841 0.000000 18 37.516710 0.000000
19 39.101944 0.000000 19 39.101935 0.000000
20 39.120741 0.000000 20 39.120622 0.000000
21 39.134471 0.000000 21 39.134351 0.000000
22 52.734433 0.000000 22 52.734414 0.000000
23 64.286203 0.000000 23 64.286218 0.000000
24 64.286613 0.000000 24 64.286476 0.000000
25 64.300889 0.000000 25 64.300824 0.000000
26 68.433729 0.000000 26 68.433639 0.000000
27 68.438554 0.000000 27 68.438526 0.000000
28 79.314849 0.000000 28 79.314749 0.000000
29 82.561972 0.000000 29 82.561855 0.000000
30 90.201981 0.000000 30 90.201928 0.000000
31 90.212381 0.000000 31 90.212352 0.000000
32 90.214678 0.000000 32 90.214646 0.000000
0.5000000E+00 0.0000000E+00 0.0000000E+00 0.1250000E+00 0.5000000E+00 0.0000000E+00 0.0000000E+00 0.1250000E+00
1 -31.933395 1.000000 1 -31.933859 1.000000
2 -31.273572 1.000000 2 -31.273994 1.000000
3 -31.002443 1.000000 3 -31.002804 1.000000
4 2.752150 1.000000 4 2.751953 1.000000
5 4.826769 1.000000 5 4.826546 1.000000
6 7.608240 0.506105 6 7.608192 0.506181
7 8.448279 0.013670 7 8.447978 0.013698
8 8.805947 0.000000 8 8.805597 0.000000
9 10.160839 0.000000 9 10.160425 0.000000
10 16.239165 0.000000 10 16.238915 0.000000
11 22.208044 0.000000 11 22.208053 0.000000
12 26.097246 0.000000 12 26.097135 0.000000
13 29.208505 0.000000 13 29.208402 0.000000
14 32.785131 0.000000 14 32.785001 0.000000
15 36.047835 0.000000 15 36.047820 0.000000
16 36.343562 0.000000 16 36.342931 0.000000
17 40.973507 0.000000 17 40.973475 0.000000
18 44.037471 0.000000 18 44.037433 0.000000
19 49.819921 0.000000 19 49.819956 0.000000
20 50.270924 0.000000 20 50.270827 0.000000
21 53.534551 0.000000 21 53.534472 0.000000
22 54.514844 0.000000 22 54.514864 0.000000
23 57.450422 0.000000 23 57.450384 0.000000
24 59.480733 0.000000 24 59.480652 0.000000
25 60.311123 0.000000 25 60.310993 0.000000
26 61.311374 0.000000 26 61.311370 0.000000
27 65.711204 0.000000 27 65.711112 0.000000
28 66.022779 0.000000 28 66.022757 0.000000
29 73.053738 0.000000 29 73.053660 0.000000
30 74.112887 0.000000 30 74.112791 0.000000
31 76.351830 0.000000 31 76.351795 0.000000
32 81.860850 0.000000 32 81.860817 0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.1250000E+00 0.0000000E+00 0.5000000E+00 0.0000000E+00 0.1250000E+00
1 -31.933343 1.000000 1 -31.933793 1.000000
2 -31.273638 1.000000 2 -31.274078 1.000000
3 -31.002430 1.000000 3 -31.002789 1.000000
4 2.752168 1.000000 4 2.751975 1.000000
5 4.826745 1.000000 5 4.826515 1.000000
6 7.608252 0.505600 6 7.608206 0.505538
7 8.448246 0.013673 7 8.447936 0.013703
8 8.805987 0.000000 8 8.805647 0.000000
9 10.160833 0.000000 9 10.160418 0.000000
10 16.239169 0.000000 10 16.238920 0.000000
11 22.208044 0.000000 11 22.208053 0.000000
12 26.097241 0.000000 12 26.097129 0.000000
13 29.208479 0.000000 13 29.208369 0.000000
14 32.785148 0.000000 14 32.785021 0.000000
15 36.047842 0.000000 15 36.047830 0.000000
16 36.343562 0.000000 16 36.342930 0.000000
17 40.973518 0.000000 17 40.973489 0.000000
18 44.037471 0.000000 18 44.037433 0.000000
19 49.819911 0.000000 19 49.819942 0.000000
20 50.270930 0.000000 20 50.270835 0.000000
21 53.534539 0.000000 21 53.534457 0.000000
22 54.514833 0.000000 22 54.514850 0.000000
23 57.450420 0.000000 23 57.450381 0.000000
24 59.480738 0.000000 24 59.480660 0.000000
25 60.311121 0.000000 25 60.310990 0.000000
26 61.311384 0.000000 26 61.311383 0.000000
27 65.711204 0.000000 27 65.711111 0.000000
28 66.022787 0.000000 28 66.022767 0.000000
29 73.053736 0.000000 29 73.053657 0.000000
30 74.112888 0.000000 30 74.112794 0.000000
31 76.351830 0.000000 31 76.351794 0.000000
32 81.860849 0.000000 32 81.860816 0.000000
0.5000000E+00 0.5000000E+00 0.0000000E+00 0.1250000E+00 0.5000000E+00 0.5000000E+00 0.0000000E+00 0.1250000E+00
1 -31.948152 1.000000 1 -31.948528 1.000000
2 -31.310265 1.000000 2 -31.310684 1.000000
3 -30.950210 1.000000 3 -30.950673 1.000000
4 2.741086 1.000000 4 2.741003 1.000000
5 4.836620 1.000000 5 4.836373 1.000000
6 7.603079 0.595232 6 7.603011 0.595059
7 8.460583 0.010154 7 8.460253 0.010175
8 8.831478 0.000000 8 8.831092 0.000000
9 10.126398 0.000000 9 10.126016 0.000000
10 16.242721 0.000000 10 16.242467 0.000000
11 22.221575 0.000000 11 22.221595 0.000000
12 26.073240 0.000000 12 26.073121 0.000000
13 29.218196 0.000000 13 29.217952 0.000000
14 32.780539 0.000000 14 32.780485 0.000000
15 36.043332 0.000000 15 36.043292 0.000000
16 36.343514 0.000000 16 36.342883 0.000000
17 40.971434 0.000000 17 40.971367 0.000000
18 44.044361 0.000000 18 44.044386 0.000000
19 49.830929 0.000000 19 49.830891 0.000000
20 50.263766 0.000000 20 50.263669 0.000000
21 53.508420 0.000000 21 53.508411 0.000000
22 54.528036 0.000000 22 54.528041 0.000000
23 57.471129 0.000000 23 57.471079 0.000000
24 59.502146 0.000000 24 59.502054 0.000000
25 60.287778 0.000000 25 60.287748 0.000000
26 61.298424 0.000000 26 61.298391 0.000000
27 65.706748 0.000000 27 65.706780 0.000000
28 66.013752 0.000000 28 66.013723 0.000000
29 73.071023 0.000000 29 73.071047 0.000000
30 74.111303 0.000000 30 74.111180 0.000000
31 76.360168 0.000000 31 76.360179 0.000000
32 81.882584 0.000000 32 81.882467 0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.1250000E+00 0.0000000E+00 0.0000000E+00 0.5000000E+00 0.1250000E+00
1 -31.874267 1.000000 1 -31.874707 1.000000
2 -31.309759 1.000000 2 -31.310174 1.000000
3 -31.027277 1.000000 3 -31.027669 1.000000
4 2.766092 1.000000 4 2.765955 1.000000
5 4.801790 1.000000 5 4.801511 1.000000
6 7.628443 0.223194 6 7.628387 0.223703
7 8.412045 0.017633 7 8.411721 0.017667
8 8.833228 0.000000 8 8.832844 0.000000
9 10.170369 0.000000 9 10.169959 0.000000
10 16.237431 0.000000 10 16.237204 0.000000
11 22.201500 0.000000 11 22.201523 0.000000
12 26.101570 0.000000 12 26.101569 0.000000
13 29.186479 0.000000 13 29.186259 0.000000
14 32.798847 0.000000 14 32.798755 0.000000
15 36.060865 0.000000 15 36.060893 0.000000
16 36.343553 0.000000 16 36.342922 0.000000
17 40.988399 0.000000 17 40.988355 0.000000
18 44.032182 0.000000 18 44.032179 0.000000
19 49.810203 0.000000 19 49.810117 0.000000
20 50.271233 0.000000 20 50.271147 0.000000
21 53.517876 0.000000 21 53.517868 0.000000
22 54.505386 0.000000 22 54.505287 0.000000
23 57.444388 0.000000 23 57.444224 0.000000
24 59.484129 0.000000 24 59.484045 0.000000
25 60.310939 0.000000 25 60.310980 0.000000
26 61.315157 0.000000 26 61.315133 0.000000
27 65.705114 0.000000 27 65.705227 0.000000
28 66.032225 0.000000 28 66.032257 0.000000
29 73.055267 0.000000 29 73.055084 0.000000
30 74.129645 0.000000 30 74.129620 0.000000
31 76.343566 0.000000 31 76.343440 0.000000
32 81.873457 0.000000 32 81.873313 0.000000
0.5000000E+00 0.0000000E+00 0.5000000E+00 0.1250000E+00 0.5000000E+00 0.0000000E+00 0.5000000E+00 0.1250000E+00
1 -31.929394 1.000000 1 -31.929739 1.000000
2 -31.272845 1.000000 2 -31.273260 1.000000
3 -31.007780 1.000000 3 -31.008274 1.000000
4 2.755426 1.000000 4 2.755281 1.000000
5 4.827808 1.000000 5 4.827532 1.000000
6 7.611388 0.251588 6 7.611388 0.251113
7 8.446597 0.011139 7 8.446211 0.011164
8 8.806248 0.000000 8 8.805913 0.000000
9 10.162064 0.000000 9 10.161691 0.000000
10 16.233228 0.000000 10 16.232955 0.000000
11 22.203245 0.000000 11 22.203248 0.000000
12 26.095535 0.000000 12 26.095501 0.000000
13 29.204827 0.000000 13 29.204662 0.000000
14 32.791944 0.000000 14 32.791814 0.000000
15 36.047720 0.000000 15 36.047734 0.000000
16 36.343556 0.000000 16 36.342925 0.000000
17 40.976756 0.000000 17 40.976757 0.000000
18 44.037506 0.000000 18 44.037429 0.000000
19 49.817858 0.000000 19 49.817837 0.000000
20 50.271783 0.000000 20 50.271685 0.000000
21 53.536664 0.000000 21 53.536577 0.000000
22 54.518111 0.000000 22 54.518061 0.000000
23 57.450987 0.000000 23 57.450952 0.000000
24 59.475442 0.000000 24 59.475367 0.000000
25 60.309902 0.000000 25 60.309855 0.000000
26 61.312365 0.000000 26 61.312344 0.000000
27 65.704515 0.000000 27 65.704469 0.000000
28 66.023056 0.000000 28 66.023063 0.000000
29 73.063263 0.000000 29 73.063148 0.000000
30 74.111293 0.000000 30 74.111263 0.000000
31 76.356510 0.000000 31 76.356404 0.000000
32 81.861150 0.000000 32 81.861117 0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.1250000E+00 0.0000000E+00 0.5000000E+00 0.5000000E+00 0.1250000E+00
1 -31.929400 1.000000 1 -31.929745 1.000000
2 -31.272788 1.000000 2 -31.273188 1.000000
3 -31.007832 1.000000 3 -31.008340 1.000000
4 2.755424 1.000000 4 2.755278 1.000000
5 4.827812 1.000000 5 4.827537 1.000000
6 7.611393 0.251470 6 7.611394 0.250970
7 8.446603 0.011139 7 8.446217 0.011163
8 8.806208 0.000000 8 8.805863 0.000000
9 10.162098 0.000000 9 10.161734 0.000000
10 16.233219 0.000000 10 16.232944 0.000000
11 22.203229 0.000000 11 22.203227 0.000000
12 26.095552 0.000000 12 26.095523 0.000000
13 29.204834 0.000000 13 29.204671 0.000000
14 32.791946 0.000000 14 32.791816 0.000000
15 36.047722 0.000000 15 36.047737 0.000000
16 36.343556 0.000000 16 36.342926 0.000000
17 40.976756 0.000000 17 40.976757 0.000000
18 44.037500 0.000000 18 44.037421 0.000000
19 49.817858 0.000000 19 49.817837 0.000000
20 50.271784 0.000000 20 50.271686 0.000000
21 53.536682 0.000000 21 53.536601 0.000000
22 54.518114 0.000000 22 54.518064 0.000000
23 57.450969 0.000000 23 57.450929 0.000000
24 59.475421 0.000000 24 59.475339 0.000000
25 60.309915 0.000000 25 60.309871 0.000000
26 61.312369 0.000000 26 61.312349 0.000000
27 65.704507 0.000000 27 65.704459 0.000000
28 66.023060 0.000000 28 66.023068 0.000000
29 73.063261 0.000000 29 73.063144 0.000000
30 74.111299 0.000000 30 74.111271 0.000000
31 76.356505 0.000000 31 76.356399 0.000000
32 81.861144 0.000000 32 81.861109 0.000000
0.5000000E+00 0.5000000E+00 0.5000000E+00 0.1250000E+00 0.5000000E+00 0.5000000E+00 0.5000000E+00 0.1250000E+00
1 -31.653480 1.000000 1 -31.653896 1.000000
2 -31.653255 1.000000 2 -31.653637 1.000000
3 -31.577516 1.000000 3 -31.577957 1.000000
4 2.924673 1.000000 4 2.924545 1.000000
5 2.948894 1.000000 5 2.948676 1.000000
6 9.729028 -0.411091 6 9.728656 -0.410809
7 9.770955 -0.071247 7 9.770545 -0.071269
8 9.774835 0.000000 8 9.774471 0.000000
9 16.288569 0.000000 9 16.288506 0.000000
10 16.305899 0.000000 10 16.305801 0.000000
11 16.334430 0.000000 11 16.334443 0.000000
12 22.925559 0.000000 12 22.925373 0.000000
13 22.949174 0.000000 13 22.948902 0.000000
14 28.058231 0.000000 14 28.058156 0.000000
15 36.343851 0.000000 15 36.343220 0.000000
16 39.981215 0.000000 16 39.981182 0.000000
17 50.686099 0.000000 17 50.686085 0.000000
18 50.688892 0.000000 18 50.688789 0.000000
19 50.689317 0.000000 19 50.689232 0.000000
20 50.698836 0.000000 20 50.698814 0.000000
21 50.703385 0.000000 21 50.703342 0.000000
22 50.711331 0.000000 22 50.711288 0.000000
23 61.415444 0.000000 23 61.415419 0.000000
24 70.116394 0.000000 24 70.116279 0.000000
25 70.135258 0.000000 25 70.135212 0.000000
26 70.141124 0.000000 26 70.141056 0.000000
27 73.355579 0.000000 27 73.355489 0.000000
28 73.356239 0.000000 28 73.356214 0.000000
29 73.373698 0.000000 29 73.373727 0.000000
30 75.649711 0.000000 30 75.649726 0.000000
31 75.664333 0.000000 31 75.664253 0.000000
32 75.665398 0.000000 32 75.665433 0.000000

2820
python/converters/plovasp/examples/simple/LOCPROJ
View File

File diff suppressed because it is too large Load Diff

2615
python/converters/plovasp/examples/simple/POTCAR Normal file
View File

File diff suppressed because it is too large Load Diff

2
python/converters/plovasp/test/_proj_group/runtest.sh
View File

@ -1 +1 @@
PYTHONPATH=../..:../../../../c:$PYTHONPATH python $1 PYTHONPATH=../..:../../../../../c:$PYTHONPATH python $1

666
python/converters/plovasp/test/_proj_group/simple/DOSCAR
View File

@ -3,7 +3,7 @@
1.000000000000000E-004 1.000000000000000E-004
CAR CAR
unknown system unknown system
13.00000000 -2.00000000 501 7.60877984 1.00000000 13.00000000 -2.00000000 501 7.60874112 1.00000000
-2.000 0.0000E+00 0.6000E+01 -2.000 0.0000E+00 0.6000E+01
-1.970 0.0000E+00 0.6000E+01 -1.970 0.0000E+00 0.6000E+01
-1.940 0.0000E+00 0.6000E+01 -1.940 0.0000E+00 0.6000E+01
@ -49,459 +49,459 @@
-0.740 0.0000E+00 0.6000E+01 -0.740 0.0000E+00 0.6000E+01
-0.710 0.0000E+00 0.6000E+01 -0.710 0.0000E+00 0.6000E+01
-0.680 0.0000E+00 0.6000E+01 -0.680 0.0000E+00 0.6000E+01
-0.650 0.6243E-04 0.6000E+01 -0.650 0.6251E-04 0.6000E+01
-0.620 0.2551E-03 0.6000E+01 -0.620 0.2552E-03 0.6000E+01
-0.590 0.5779E-03 0.6000E+01 -0.590 0.5782E-03 0.6000E+01
-0.560 0.1031E-02 0.6000E+01 -0.560 0.1031E-02 0.6000E+01
-0.530 0.1614E-02 0.6000E+01 -0.530 0.1615E-02 0.6000E+01
-0.500 0.2328E-02 0.6000E+01 -0.500 0.2329E-02 0.6000E+01
-0.470 0.3172E-02 0.6000E+01 -0.470 0.3173E-02 0.6000E+01
-0.440 0.4146E-02 0.6000E+01 -0.440 0.4147E-02 0.6000E+01
-0.410 0.5250E-02 0.6000E+01 -0.410 0.5251E-02 0.6000E+01
-0.380 0.6484E-02 0.6001E+01 -0.380 0.6486E-02 0.6001E+01
-0.350 0.7849E-02 0.6001E+01 -0.350 0.7851E-02 0.6001E+01
-0.320 0.9344E-02 0.6001E+01 -0.320 0.9346E-02 0.6001E+01
-0.290 0.1097E-01 0.6001E+01 -0.290 0.1097E-01 0.6001E+01
-0.260 0.1272E-01 0.6002E+01 -0.260 0.1273E-01 0.6002E+01
-0.230 0.1461E-01 0.6002E+01 -0.230 0.1461E-01 0.6002E+01
-0.200 0.1663E-01 0.6003E+01 -0.200 0.1663E-01 0.6003E+01
-0.170 0.1877E-01 0.6003E+01 -0.170 0.1878E-01 0.6003E+01
-0.140 0.2105E-01 0.6004E+01 -0.140 0.2105E-01 0.6004E+01
-0.110 0.2346E-01 0.6004E+01 -0.110 0.2346E-01 0.6004E+01
-0.080 0.2599E-01 0.6005E+01 -0.080 0.2600E-01 0.6005E+01
-0.050 0.2866E-01 0.6006E+01 -0.050 0.2866E-01 0.6006E+01
-0.020 0.3146E-01 0.6007E+01 -0.020 0.3146E-01 0.6007E+01
0.010 0.3438E-01 0.6008E+01 0.010 0.3439E-01 0.6008E+01
0.040 0.3744E-01 0.6009E+01 0.040 0.3745E-01 0.6009E+01
0.070 0.4063E-01 0.6010E+01 0.070 0.4064E-01 0.6010E+01
0.100 0.4395E-01 0.6011E+01 0.100 0.4395E-01 0.6011E+01
0.130 0.4740E-01 0.6013E+01 0.130 0.4740E-01 0.6013E+01
0.160 0.5097E-01 0.6014E+01 0.160 0.5098E-01 0.6014E+01
0.190 0.5468E-01 0.6016E+01 0.190 0.5469E-01 0.6016E+01
0.220 0.5852E-01 0.6018E+01 0.220 0.5853E-01 0.6018E+01
0.250 0.6249E-01 0.6019E+01 0.250 0.6250E-01 0.6019E+01
0.280 0.6659E-01 0.6021E+01 0.280 0.6660E-01 0.6021E+01
0.310 0.7082E-01 0.6023E+01 0.310 0.7083E-01 0.6023E+01
0.340 0.7518E-01 0.6026E+01 0.340 0.7519E-01 0.6026E+01
0.370 0.7967E-01 0.6028E+01 0.370 0.7968E-01 0.6028E+01
0.400 0.8429E-01 0.6030E+01 0.400 0.8430E-01 0.6030E+01
0.430 0.8904E-01 0.6033E+01 0.430 0.8906E-01 0.6033E+01
0.460 0.9392E-01 0.6036E+01 0.460 0.9394E-01 0.6036E+01
0.490 0.9894E-01 0.6039E+01 0.490 0.9895E-01 0.6039E+01
0.520 0.1041E+00 0.6042E+01 0.520 0.1041E+00 0.6042E+01
0.550 0.1093E+00 0.6045E+01 0.550 0.1094E+00 0.6045E+01
0.580 0.1147E+00 0.6048E+01 0.580 0.1148E+00 0.6048E+01
0.610 0.1203E+00 0.6052E+01 0.610 0.1203E+00 0.6052E+01
0.640 0.1259E+00 0.6055E+01 0.640 0.1260E+00 0.6055E+01
0.670 0.1317E+00 0.6059E+01 0.670 0.1318E+00 0.6059E+01
0.700 0.1377E+00 0.6063E+01 0.700 0.1377E+00 0.6063E+01
0.730 0.1437E+00 0.6068E+01 0.730 0.1437E+00 0.6068E+01
0.760 0.1499E+00 0.6072E+01 0.760 0.1499E+00 0.6072E+01
0.790 0.1562E+00 0.6077E+01 0.790 0.1562E+00 0.6077E+01
0.820 0.1627E+00 0.6081E+01 0.820 0.1627E+00 0.6081E+01
0.850 0.1692E+00 0.6086E+01 0.850 0.1693E+00 0.6086E+01
0.880 0.1759E+00 0.6091E+01 0.880 0.1760E+00 0.6091E+01
0.910 0.1828E+00 0.6097E+01 0.910 0.1828E+00 0.6097E+01
0.940 0.1897E+00 0.6102E+01 0.940 0.1898E+00 0.6102E+01
0.970 0.1968E+00 0.6108E+01 0.970 0.1969E+00 0.6108E+01
1.000 0.2041E+00 0.6114E+01 1.000 0.2041E+00 0.6114E+01
1.030 0.2114E+00 0.6120E+01 1.030 0.2114E+00 0.6120E+01
1.060 0.2189E+00 0.6127E+01 1.060 0.2189E+00 0.6127E+01
1.090 0.2265E+00 0.6134E+01 1.090 0.2265E+00 0.6134E+01
1.120 0.2343E+00 0.6141E+01 1.120 0.2343E+00 0.6141E+01
1.150 0.2421E+00 0.6148E+01 1.150 0.2422E+00 0.6148E+01
1.180 0.2501E+00 0.6155E+01 1.180 0.2502E+00 0.6155E+01
1.210 0.2583E+00 0.6163E+01 1.210 0.2583E+00 0.6163E+01
1.240 0.2665E+00 0.6171E+01 1.240 0.2666E+00 0.6171E+01
1.270 0.2749E+00 0.6179E+01 1.270 0.2750E+00 0.6179E+01
1.300 0.2835E+00 0.6187E+01 1.300 0.2835E+00 0.6187E+01
1.330 0.2921E+00 0.6196E+01 1.330 0.2922E+00 0.6196E+01
1.360 0.3009E+00 0.6205E+01 1.360 0.3010E+00 0.6205E+01
1.390 0.3098E+00 0.6214E+01 1.390 0.3099E+00 0.6214E+01
1.420 0.3189E+00 0.6223E+01 1.420 0.3189E+00 0.6223E+01
1.450 0.3281E+00 0.6233E+01 1.450 0.3281E+00 0.6233E+01
1.480 0.3374E+00 0.6243E+01 1.480 0.3374E+00 0.6243E+01
1.510 0.3468E+00 0.6253E+01 1.510 0.3468E+00 0.6253E+01
1.540 0.3564E+00 0.6264E+01 1.540 0.3564E+00 0.6264E+01
1.570 0.3661E+00 0.6274E+01 1.570 0.3661E+00 0.6275E+01
1.600 0.3759E+00 0.6286E+01 1.600 0.3760E+00 0.6286E+01
1.630 0.3859E+00 0.6297E+01 1.630 0.3859E+00 0.6297E+01
1.660 0.3960E+00 0.6309E+01 1.660 0.3960E+00 0.6309E+01
1.690 0.4062E+00 0.6321E+01 1.690 0.4062E+00 0.6321E+01
1.720 0.4165E+00 0.6333E+01 1.720 0.4166E+00 0.6333E+01
1.750 0.4270E+00 0.6346E+01 1.750 0.4271E+00 0.6346E+01
1.780 0.4376E+00 0.6359E+01 1.780 0.4377E+00 0.6359E+01
1.810 0.4484E+00 0.6372E+01 1.810 0.4484E+00 0.6372E+01
1.840 0.4592E+00 0.6386E+01 1.840 0.4593E+00 0.6386E+01
1.870 0.4702E+00 0.6400E+01 1.870 0.4703E+00 0.6400E+01
1.900 0.4814E+00 0.6414E+01 1.900 0.4814E+00 0.6414E+01
1.930 0.4926E+00 0.6428E+01 1.930 0.4927E+00 0.6429E+01
1.960 0.5040E+00 0.6443E+01 1.960 0.5041E+00 0.6443E+01
1.990 0.5155E+00 0.6459E+01 1.990 0.5156E+00 0.6459E+01
2.020 0.5272E+00 0.6474E+01 2.020 0.5273E+00 0.6474E+01
2.050 0.5390E+00 0.6490E+01 2.050 0.5390E+00 0.6490E+01
2.080 0.5509E+00 0.6507E+01 2.080 0.5510E+00 0.6507E+01
2.110 0.5629E+00 0.6523E+01 2.110 0.5630E+00 0.6523E+01
2.140 0.5751E+00 0.6540E+01 2.140 0.5752E+00 0.6541E+01
2.170 0.5874E+00 0.6558E+01 2.170 0.5875E+00 0.6558E+01
2.200 0.5998E+00 0.6576E+01 2.200 0.5999E+00 0.6576E+01
2.230 0.6124E+00 0.6594E+01 2.230 0.6125E+00 0.6594E+01
2.260 0.6251E+00 0.6612E+01 2.260 0.6252E+00 0.6613E+01
2.290 0.6379E+00 0.6631E+01 2.290 0.6380E+00 0.6632E+01
2.320 0.6509E+00 0.6651E+01 2.320 0.6510E+00 0.6651E+01
2.350 0.6640E+00 0.6670E+01 2.350 0.6641E+00 0.6671E+01
2.380 0.6772E+00 0.6691E+01 2.380 0.6773E+00 0.6691E+01
2.410 0.6905E+00 0.6711E+01 2.410 0.6906E+00 0.6711E+01
2.440 0.7040E+00 0.6732E+01 2.440 0.7041E+00 0.6732E+01
2.470 0.7176E+00 0.6753E+01 2.470 0.7177E+00 0.6753E+01
2.500 0.7314E+00 0.6775E+01 2.500 0.7314E+00 0.6775E+01
2.530 0.7452E+00 0.6797E+01 2.530 0.7453E+00 0.6797E+01
2.560 0.7592E+00 0.6820E+01 2.560 0.7593E+00 0.6820E+01
2.590 0.7733E+00 0.6843E+01 2.590 0.7734E+00 0.6843E+01
2.620 0.7876E+00 0.6866E+01 2.620 0.7877E+00 0.6866E+01
2.650 0.8020E+00 0.6890E+01 2.650 0.8021E+00 0.6890E+01
2.680 0.8165E+00 0.6914E+01 2.680 0.8166E+00 0.6914E+01
2.710 0.8312E+00 0.6939E+01 2.710 0.8313E+00 0.6939E+01
2.740 0.8459E+00 0.6964E+01 2.740 0.8460E+00 0.6964E+01
2.770 0.7422E+01 0.7617E+01 2.770 0.7408E+01 0.7618E+01
2.800 0.4822E+01 0.7800E+01 2.800 0.4811E+01 0.7800E+01
2.830 0.2781E+01 0.7912E+01 2.830 0.2772E+01 0.7913E+01
2.860 0.1298E+01 0.7972E+01 2.860 0.1292E+01 0.7972E+01
2.890 0.3730E+00 0.7996E+01 2.890 0.3701E+00 0.7996E+01
2.920 0.6775E-02 0.8000E+01 2.920 0.6406E-02 0.8000E+01
2.950 0.4296E-06 0.8000E+01 2.950 0.6159E-06 0.8000E+01
2.980 0.3400E-03 0.8000E+01 2.980 0.3448E-03 0.8000E+01
3.010 0.1312E-02 0.8000E+01 3.010 0.1322E-02 0.8000E+01
3.040 0.2917E-02 0.8000E+01 3.040 0.2931E-02 0.8000E+01
3.070 0.5154E-02 0.8000E+01 3.070 0.5173E-02 0.8000E+01
3.100 0.8023E-02 0.8000E+01 3.100 0.8047E-02 0.8000E+01
3.130 0.1153E-01 0.8001E+01 3.130 0.1155E-01 0.8001E+01
3.160 0.1566E-01 0.8001E+01 3.160 0.1569E-01 0.8001E+01
3.190 0.2043E-01 0.8002E+01 3.190 0.2047E-01 0.8002E+01
3.220 0.2583E-01 0.8002E+01 3.220 0.2587E-01 0.8002E+01
3.250 0.3186E-01 0.8003E+01 3.250 0.3191E-01 0.8003E+01
3.280 0.3852E-01 0.8004E+01 3.280 0.3858E-01 0.8004E+01
3.310 0.4582E-01 0.8006E+01 3.310 0.4588E-01 0.8006E+01
3.340 0.5375E-01 0.8007E+01 3.340 0.5381E-01 0.8007E+01
3.370 0.6231E-01 0.8009E+01 3.370 0.6238E-01 0.8009E+01
3.400 0.7151E-01 0.8011E+01 3.400 0.7158E-01 0.8011E+01
3.430 0.8133E-01 0.8013E+01 3.430 0.8141E-01 0.8013E+01
3.460 0.9179E-01 0.8016E+01 3.460 0.9188E-01 0.8016E+01
3.490 0.1029E+00 0.8019E+01 3.490 0.1030E+00 0.8019E+01
3.520 0.1146E+00 0.8022E+01 3.520 0.1147E+00 0.8022E+01
3.550 0.1270E+00 0.8025E+01 3.550 0.1271E+00 0.8025E+01
3.580 0.1400E+00 0.8029E+01 3.580 0.1401E+00 0.8029E+01
3.610 0.1536E+00 0.8034E+01 3.610 0.1537E+00 0.8034E+01
3.640 0.1678E+00 0.8039E+01 3.640 0.1680E+00 0.8039E+01
3.670 0.1827E+00 0.8044E+01 3.670 0.1828E+00 0.8044E+01
3.700 0.1982E+00 0.8050E+01 3.700 0.1984E+00 0.8050E+01
3.730 0.2144E+00 0.8056E+01 3.730 0.2145E+00 0.8056E+01
3.760 0.2312E+00 0.8063E+01 3.760 0.2313E+00 0.8063E+01
3.790 0.2486E+00 0.8070E+01 3.790 0.2487E+00 0.8070E+01
3.820 0.2666E+00 0.8077E+01 3.820 0.2668E+00 0.8077E+01
3.850 0.2853E+00 0.8086E+01 3.850 0.2855E+00 0.8086E+01
3.880 0.3046E+00 0.8095E+01 3.880 0.3048E+00 0.8095E+01
3.910 0.3246E+00 0.8104E+01 3.910 0.3248E+00 0.8104E+01
3.940 0.3452E+00 0.8114E+01 3.940 0.3453E+00 0.8114E+01
3.970 0.3664E+00 0.8125E+01 3.970 0.3666E+00 0.8125E+01
4.000 0.3882E+00 0.8136E+01 4.000 0.3884E+00 0.8136E+01
4.030 0.4107E+00 0.8148E+01 4.030 0.4109E+00 0.8148E+01
4.060 0.4338E+00 0.8161E+01 4.060 0.4340E+00 0.8161E+01
4.090 0.4576E+00 0.8174E+01 4.090 0.4578E+00 0.8174E+01
4.120 0.4819E+00 0.8188E+01 4.120 0.4821E+00 0.8188E+01
4.150 0.5069E+00 0.8203E+01 4.150 0.5072E+00 0.8203E+01
4.180 0.5326E+00 0.8219E+01 4.180 0.5328E+00 0.8219E+01
4.210 0.5588E+00 0.8235E+01 4.210 0.5591E+00 0.8235E+01
4.240 0.5858E+00 0.8252E+01 4.240 0.5860E+00 0.8252E+01
4.270 0.6133E+00 0.8270E+01 4.270 0.6135E+00 0.8270E+01
4.300 0.6415E+00 0.8289E+01 4.300 0.6417E+00 0.8289E+01
4.330 0.6703E+00 0.8309E+01 4.330 0.6705E+00 0.8309E+01
4.360 0.6997E+00 0.8329E+01 4.360 0.7000E+00 0.8329E+01
4.390 0.7298E+00 0.8351E+01 4.390 0.7300E+00 0.8351E+01
4.420 0.7605E+00 0.8373E+01 4.420 0.7607E+00 0.8373E+01
4.450 0.7918E+00 0.8396E+01 4.450 0.7921E+00 0.8396E+01
4.480 0.8238E+00 0.8420E+01 4.480 0.8240E+00 0.8421E+01
4.510 0.8564E+00 0.8446E+01 4.510 0.8567E+00 0.8446E+01
4.540 0.8896E+00 0.8472E+01 4.540 0.8899E+00 0.8472E+01
4.570 0.9234E+00 0.8499E+01 4.570 0.9238E+00 0.8499E+01
4.600 0.9579E+00 0.8527E+01 4.600 0.9583E+00 0.8527E+01
4.630 0.9931E+00 0.8556E+01 4.630 0.9934E+00 0.8557E+01
4.660 0.1029E+01 0.8587E+01 4.660 0.1029E+01 0.8587E+01
4.690 0.1065E+01 0.8618E+01 4.690 0.1066E+01 0.8618E+01
4.720 0.1102E+01 0.8651E+01 4.720 0.1103E+01 0.8651E+01
4.750 0.1140E+01 0.8684E+01 4.750 0.1140E+01 0.8685E+01
4.780 0.1178E+01 0.8719E+01 4.780 0.1179E+01 0.8719E+01
4.810 0.4738E+01 0.8765E+01 4.810 0.4971E+01 0.8766E+01
4.840 0.1381E+01 0.9298E+01 4.840 0.1381E+01 0.9298E+01
4.870 0.1327E+01 0.9339E+01 4.870 0.1327E+01 0.9339E+01
4.900 0.1275E+01 0.9378E+01 4.900 0.1274E+01 0.9378E+01
4.930 0.1223E+01 0.9415E+01 4.930 0.1223E+01 0.9415E+01
4.960 0.1172E+01 0.9451E+01 4.960 0.1172E+01 0.9451E+01
4.990 0.1123E+01 0.9485E+01 4.990 0.1122E+01 0.9486E+01
5.020 0.1074E+01 0.9518E+01 5.020 0.1074E+01 0.9519E+01
5.050 0.1027E+01 0.9550E+01 5.050 0.1027E+01 0.9550E+01
5.080 0.9806E+00 0.9580E+01 5.080 0.9803E+00 0.9580E+01
5.110 0.9354E+00 0.9609E+01 5.110 0.9350E+00 0.9609E+01
5.140 0.8912E+00 0.9636E+01 5.140 0.8908E+00 0.9636E+01
5.170 0.8481E+00 0.9662E+01 5.170 0.8477E+00 0.9662E+01
5.200 0.8060E+00 0.9687E+01 5.200 0.8057E+00 0.9687E+01
5.230 0.7650E+00 0.9711E+01 5.230 0.7647E+00 0.9711E+01
5.260 0.7251E+00 0.9733E+01 5.260 0.7248E+00 0.9733E+01
5.290 0.6863E+00 0.9754E+01 5.290 0.6859E+00 0.9754E+01
5.320 0.6485E+00 0.9774E+01 5.320 0.6482E+00 0.9774E+01
5.350 0.6118E+00 0.9793E+01 5.350 0.6115E+00 0.9793E+01
5.380 0.5761E+00 0.9811E+01 5.380 0.5758E+00 0.9811E+01
5.410 0.5416E+00 0.9828E+01 5.410 0.5413E+00 0.9828E+01
5.440 0.5081E+00 0.9843E+01 5.440 0.5078E+00 0.9844E+01
5.470 0.4757E+00 0.9858E+01 5.470 0.4754E+00 0.9858E+01
5.500 0.4443E+00 0.9872E+01 5.500 0.4440E+00 0.9872E+01
5.530 0.4140E+00 0.9885E+01 5.530 0.4137E+00 0.9885E+01
5.560 0.3848E+00 0.9897E+01 5.560 0.3845E+00 0.9897E+01
5.590 0.3566E+00 0.9908E+01 5.590 0.3564E+00 0.9908E+01
5.620 0.3295E+00 0.9918E+01 5.620 0.3293E+00 0.9918E+01
5.650 0.3035E+00 0.9928E+01 5.650 0.3033E+00 0.9928E+01
5.680 0.2786E+00 0.9936E+01 5.680 0.2784E+00 0.9936E+01
5.710 0.2547E+00 0.9944E+01 5.710 0.2545E+00 0.9944E+01
5.740 0.2319E+00 0.9952E+01 5.740 0.2317E+00 0.9952E+01
5.770 0.2102E+00 0.9958E+01 5.770 0.2100E+00 0.9958E+01
5.800 0.1895E+00 0.9964E+01 5.800 0.1893E+00 0.9964E+01
5.830 0.1699E+00 0.9970E+01 5.830 0.1697E+00 0.9970E+01
5.860 0.1514E+00 0.9975E+01 5.860 0.1512E+00 0.9975E+01
5.890 0.1339E+00 0.9979E+01 5.890 0.1338E+00 0.9979E+01
5.920 0.1175E+00 0.9983E+01 5.920 0.1174E+00 0.9983E+01
5.950 0.1022E+00 0.9986E+01 5.950 0.1021E+00 0.9986E+01
5.980 0.8797E-01 0.9989E+01 5.980 0.8783E-01 0.9989E+01
6.010 0.7479E-01 0.9991E+01 6.010 0.7466E-01 0.9991E+01
6.040 0.6267E-01 0.9993E+01 6.040 0.6256E-01 0.9993E+01
6.070 0.5163E-01 0.9995E+01 6.070 0.5153E-01 0.9995E+01
6.100 0.4166E-01 0.9996E+01 6.100 0.4156E-01 0.9996E+01
6.130 0.3275E-01 0.9997E+01 6.130 0.3267E-01 0.9997E+01
6.160 0.2492E-01 0.9998E+01 6.160 0.2485E-01 0.9998E+01
6.190 0.1815E-01 0.9999E+01 6.190 0.1809E-01 0.9999E+01
6.220 0.1246E-01 0.9999E+01 6.220 0.1240E-01 0.9999E+01
6.250 0.7831E-02 0.1000E+02 6.250 0.7788E-02 0.1000E+02
6.280 0.4273E-02 0.1000E+02 6.280 0.4242E-02 0.1000E+02
6.310 0.1785E-02 0.1000E+02 6.310 0.1764E-02 0.1000E+02
6.340 0.3658E-03 0.1000E+02 6.340 0.3565E-03 0.1000E+02
6.370 0.0000E+00 0.1000E+02 6.370 0.0000E+00 0.1000E+02
6.400 0.0000E+00 0.1000E+02 6.400 0.0000E+00 0.1000E+02
6.430 0.9399E-03 0.1000E+02 6.430 0.9600E-03 0.1000E+02
6.460 0.4450E-02 0.1000E+02 6.460 0.4493E-02 0.1000E+02
6.490 0.1056E-01 0.1000E+02 6.490 0.1062E-01 0.1000E+02
6.520 0.1927E-01 0.1000E+02 6.520 0.1935E-01 0.1000E+02
6.550 0.3058E-01 0.1000E+02 6.550 0.3068E-01 0.1000E+02
6.580 0.4449E-01 0.1000E+02 6.580 0.4461E-01 0.1000E+02
6.610 0.6100E-01 0.1000E+02 6.610 0.6114E-01 0.1000E+02
6.640 0.8010E-01 0.1001E+02 6.640 0.8026E-01 0.1001E+02
6.670 0.1018E+00 0.1001E+02 6.670 0.1020E+00 0.1001E+02
6.700 0.1261E+00 0.1001E+02 6.700 0.1263E+00 0.1001E+02
6.730 0.1530E+00 0.1002E+02 6.730 0.1532E+00 0.1002E+02
6.760 0.1825E+00 0.1002E+02 6.760 0.1827E+00 0.1002E+02
6.790 0.2146E+00 0.1003E+02 6.790 0.2149E+00 0.1003E+02
6.820 0.2493E+00 0.1003E+02 6.820 0.2496E+00 0.1003E+02
6.850 0.2867E+00 0.1004E+02 6.850 0.2869E+00 0.1004E+02
6.880 0.3266E+00 0.1005E+02 6.880 0.3268E+00 0.1005E+02
6.910 0.3691E+00 0.1006E+02 6.910 0.3693E+00 0.1006E+02
6.940 0.4142E+00 0.1007E+02 6.940 0.4144E+00 0.1007E+02
6.970 0.4619E+00 0.1009E+02 6.970 0.4621E+00 0.1009E+02
7.000 0.5122E+00 0.1010E+02 7.000 0.5125E+00 0.1010E+02
7.030 0.5651E+00 0.1012E+02 7.030 0.5654E+00 0.1012E+02
7.060 0.6206E+00 0.1014E+02 7.060 0.6209E+00 0.1014E+02
7.090 0.6787E+00 0.1016E+02 7.090 0.6790E+00 0.1016E+02
7.120 0.7394E+00 0.1018E+02 7.120 0.7397E+00 0.1018E+02
7.150 0.8027E+00 0.1020E+02 7.150 0.8030E+00 0.1020E+02
7.180 0.8686E+00 0.1022E+02 7.180 0.8689E+00 0.1022E+02
7.210 0.9371E+00 0.1025E+02 7.210 0.9374E+00 0.1025E+02
7.240 0.1008E+01 0.1028E+02 7.240 0.1008E+01 0.1028E+02
7.270 0.1082E+01 0.1031E+02 7.270 0.1082E+01 0.1031E+02
7.300 0.1158E+01 0.1035E+02 7.300 0.1158E+01 0.1035E+02
7.330 0.1237E+01 0.1038E+02 7.330 0.1237E+01 0.1038E+02
7.360 0.1319E+01 0.1042E+02 7.360 0.1319E+01 0.1042E+02
7.390 0.1403E+01 0.1046E+02 7.390 0.1403E+01 0.1046E+02
7.420 0.1489E+01 0.1050E+02 7.420 0.1490E+01 0.1050E+02
7.450 0.1579E+01 0.1055E+02 7.450 0.1579E+01 0.1055E+02
7.480 0.1671E+01 0.1060E+02 7.480 0.1671E+01 0.1060E+02
7.510 0.1765E+01 0.1065E+02 7.510 0.1765E+01 0.1065E+02
7.540 0.1862E+01 0.1070E+02 7.540 0.1862E+01 0.1071E+02
7.570 0.1962E+01 0.1076E+02 7.570 0.1962E+01 0.1076E+02
7.600 0.2064E+01 0.1082E+02 7.600 0.2064E+01 0.1082E+02
7.630 0.1566E+01 0.1138E+02 7.630 0.1567E+01 0.1138E+02
7.660 0.1555E+01 0.1142E+02 7.660 0.1555E+01 0.1142E+02
7.690 0.1545E+01 0.1147E+02 7.690 0.1545E+01 0.1147E+02
7.720 0.1536E+01 0.1152E+02 7.720 0.1536E+01 0.1152E+02
7.750 0.1528E+01 0.1156E+02 7.750 0.1528E+01 0.1156E+02
7.780 0.1520E+01 0.1161E+02 7.780 0.1521E+01 0.1161E+02
7.810 0.1514E+01 0.1165E+02 7.810 0.1515E+01 0.1165E+02
7.840 0.1509E+01 0.1170E+02 7.840 0.1509E+01 0.1170E+02
7.870 0.1505E+01 0.1175E+02 7.870 0.1505E+01 0.1175E+02
7.900 0.1501E+01 0.1179E+02 7.900 0.1502E+01 0.1179E+02
7.930 0.1499E+01 0.1184E+02 7.930 0.1499E+01 0.1184E+02
7.960 0.1498E+01 0.1188E+02 7.960 0.1498E+01 0.1188E+02
7.990 0.1497E+01 0.1192E+02 7.990 0.1498E+01 0.1193E+02
8.020 0.1498E+01 0.1197E+02 8.020 0.1498E+01 0.1197E+02
8.050 0.1500E+01 0.1201E+02 8.050 0.1500E+01 0.1202E+02
8.080 0.1502E+01 0.1206E+02 8.080 0.1503E+01 0.1206E+02
8.110 0.1506E+01 0.1211E+02 8.110 0.1506E+01 0.1211E+02
8.140 0.1510E+01 0.1215E+02 8.140 0.1511E+01 0.1215E+02
8.170 0.1516E+01 0.1220E+02 8.170 0.1516E+01 0.1220E+02
8.200 0.1522E+01 0.1224E+02 8.200 0.1523E+01 0.1224E+02
8.230 0.1530E+01 0.1229E+02 8.230 0.1530E+01 0.1229E+02
8.260 0.1538E+01 0.1233E+02 8.260 0.1539E+01 0.1233E+02
8.290 0.1548E+01 0.1238E+02 8.290 0.1548E+01 0.1238E+02
8.320 0.1558E+01 0.1243E+02 8.320 0.1559E+01 0.1243E+02
8.350 0.1570E+01 0.1247E+02 8.350 0.1570E+01 0.1247E+02
8.380 0.1582E+01 0.1252E+02 8.380 0.1582E+01 0.1252E+02
8.410 0.1595E+01 0.1257E+02 8.410 0.1596E+01 0.1257E+02
8.440 0.1698E+02 0.1276E+02 8.440 0.1738E+02 0.1276E+02
8.470 0.1990E+01 0.1317E+02 8.470 0.1990E+01 0.1317E+02
8.500 0.2016E+01 0.1323E+02 8.500 0.2017E+01 0.1323E+02
8.530 0.2106E+01 0.1329E+02 8.530 0.2107E+01 0.1329E+02
8.560 0.2258E+01 0.1336E+02 8.560 0.2260E+01 0.1336E+02
8.590 0.2473E+01 0.1343E+02 8.590 0.2476E+01 0.1343E+02
8.620 0.2751E+01 0.1351E+02 8.620 0.2754E+01 0.1351E+02
8.650 0.3091E+01 0.1359E+02 8.650 0.3096E+01 0.1359E+02
8.680 0.3495E+01 0.1369E+02 8.680 0.3500E+01 0.1369E+02
8.710 0.3961E+01 0.1380E+02 8.710 0.3967E+01 0.1380E+02
8.740 0.4490E+01 0.1393E+02 8.740 0.4497E+01 0.1393E+02
8.770 0.5082E+01 0.1407E+02 8.770 0.5090E+01 0.1407E+02
8.800 0.5737E+01 0.1424E+02 8.800 0.5745E+01 0.1424E+02
8.830 0.7186E+01 0.1487E+02 8.830 0.6614E+01 0.1488E+02
8.860 0.3431E+01 0.1498E+02 8.860 0.3428E+01 0.1498E+02
8.890 0.3222E+01 0.1508E+02 8.890 0.3219E+01 0.1508E+02
8.920 0.3020E+01 0.1518E+02 8.920 0.3018E+01 0.1518E+02
8.950 0.2827E+01 0.1526E+02 8.950 0.2825E+01 0.1527E+02
8.980 0.2642E+01 0.1535E+02 8.980 0.2640E+01 0.1535E+02
9.010 0.2465E+01 0.1542E+02 9.010 0.2463E+01 0.1542E+02
9.040 0.2296E+01 0.1549E+02 9.040 0.2294E+01 0.1550E+02
9.070 0.2135E+01 0.1556E+02 9.070 0.2133E+01 0.1556E+02
9.100 0.1981E+01 0.1562E+02 9.100 0.1980E+01 0.1562E+02
9.130 0.1836E+01 0.1568E+02 9.130 0.1834E+01 0.1568E+02
9.160 0.1699E+01 0.1573E+02 9.160 0.1697E+01 0.1573E+02
9.190 0.1570E+01 0.1578E+02 9.190 0.1568E+01 0.1578E+02
9.220 0.1448E+01 0.1583E+02 9.220 0.1447E+01 0.1583E+02
9.250 0.1335E+01 0.1587E+02 9.250 0.1334E+01 0.1587E+02
9.280 0.1230E+01 0.1591E+02 9.280 0.1228E+01 0.1591E+02
9.310 0.1132E+01 0.1594E+02 9.310 0.1131E+01 0.1594E+02
9.340 0.1043E+01 0.1598E+02 9.340 0.1042E+01 0.1598E+02
9.370 0.9616E+00 0.1601E+02 9.370 0.9607E+00 0.1601E+02
9.400 0.8882E+00 0.1603E+02 9.400 0.8874E+00 0.1603E+02
9.430 0.8228E+00 0.1606E+02 9.430 0.8221E+00 0.1606E+02
9.460 0.7654E+00 0.1608E+02 9.460 0.7647E+00 0.1608E+02
9.490 0.7159E+00 0.1610E+02 9.490 0.7154E+00 0.1611E+02
9.520 0.6745E+00 0.1613E+02 9.520 0.6740E+00 0.1613E+02
9.550 0.6410E+00 0.1615E+02 9.550 0.6407E+00 0.1615E+02
9.580 0.6155E+00 0.1616E+02 9.580 0.6153E+00 0.1616E+02
9.610 0.5980E+00 0.1618E+02 9.610 0.5979E+00 0.1618E+02
9.640 0.5885E+00 0.1620E+02 9.640 0.5885E+00 0.1620E+02
9.670 0.5870E+00 0.1622E+02 9.670 0.5870E+00 0.1622E+02
9.700 0.5934E+00 0.1624E+02 9.700 0.5936E+00 0.1624E+02
9.730 0.6079E+00 0.1625E+02 9.730 0.6081E+00 0.1625E+02
9.760 0.6300E+00 0.1627E+02 9.760 0.6304E+00 0.1627E+02
9.790 0.6587E+00 0.1629E+02 9.790 0.6591E+00 0.1629E+02
9.820 0.6888E+00 0.1631E+02 9.820 0.6892E+00 0.1631E+02
9.850 0.7196E+00 0.1633E+02 9.850 0.7200E+00 0.1633E+02
9.880 0.7511E+00 0.1635E+02 9.880 0.7515E+00 0.1636E+02
9.910 0.7832E+00 0.1638E+02 9.910 0.7837E+00 0.1638E+02
9.940 0.8160E+00 0.1640E+02 9.940 0.8165E+00 0.1640E+02
9.970 0.8495E+00 0.1643E+02 9.970 0.8500E+00 0.1643E+02
10.000 0.8837E+00 0.1645E+02 10.000 0.8841E+00 0.1645E+02
10.030 0.9185E+00 0.1648E+02 10.030 0.9190E+00 0.1648E+02
10.060 0.9540E+00 0.1651E+02 10.060 0.9545E+00 0.1651E+02
10.090 0.9902E+00 0.1654E+02 10.090 0.9907E+00 0.1654E+02
10.120 0.1027E+01 0.1657E+02 10.120 0.1028E+01 0.1657E+02
10.150 0.1275E+02 0.1669E+02 10.150 0.1315E+02 0.1670E+02
10.180 0.4328E+00 0.1712E+02 10.180 0.4327E+00 0.1712E+02
10.210 0.4286E+00 0.1713E+02 10.210 0.4285E+00 0.1713E+02
10.240 0.4243E+00 0.1714E+02 10.240 0.4243E+00 0.1714E+02
10.270 0.4201E+00 0.1716E+02 10.270 0.4201E+00 0.1716E+02
10.300 0.4160E+00 0.1717E+02 10.300 0.4159E+00 0.1717E+02
10.330 0.4118E+00 0.1718E+02 10.330 0.4117E+00 0.1718E+02
10.360 0.4077E+00 0.1719E+02 10.360 0.4076E+00 0.1719E+02
10.390 0.4035E+00 0.1721E+02 10.390 0.4035E+00 0.1721E+02
10.420 0.3995E+00 0.1722E+02 10.420 0.3994E+00 0.1722E+02
10.450 0.3954E+00 0.1723E+02 10.450 0.3953E+00 0.1723E+02
10.480 0.3913E+00 0.1724E+02 10.480 0.3913E+00 0.1724E+02
10.510 0.3873E+00 0.1725E+02 10.510 0.3872E+00 0.1725E+02
10.540 0.3833E+00 0.1727E+02 10.540 0.3832E+00 0.1727E+02
10.570 0.3793E+00 0.1728E+02 10.570 0.3792E+00 0.1728E+02
10.600 0.3753E+00 0.1729E+02 10.600 0.3753E+00 0.1729E+02
10.630 0.3714E+00 0.1730E+02 10.630 0.3713E+00 0.1730E+02
10.660 0.3674E+00 0.1731E+02 10.660 0.3674E+00 0.1731E+02
10.690 0.3635E+00 0.1732E+02 10.690 0.3635E+00 0.1732E+02
10.720 0.3597E+00 0.1733E+02 10.720 0.3596E+00 0.1733E+02
10.750 0.3558E+00 0.1734E+02 10.750 0.3557E+00 0.1734E+02
10.780 0.3519E+00 0.1735E+02 10.780 0.3519E+00 0.1735E+02
10.810 0.3481E+00 0.1736E+02 10.810 0.3481E+00 0.1736E+02
10.840 0.3443E+00 0.1737E+02 10.840 0.3443E+00 0.1737E+02
10.870 0.3405E+00 0.1738E+02 10.870 0.3405E+00 0.1739E+02
10.900 0.3368E+00 0.1740E+02 10.900 0.3367E+00 0.1740E+02
10.930 0.3330E+00 0.1741E+02 10.930 0.3330E+00 0.1741E+02
10.960 0.3293E+00 0.1742E+02 10.960 0.3293E+00 0.1742E+02
10.990 0.3256E+00 0.1742E+02 10.990 0.3256E+00 0.1742E+02
11.020 0.3219E+00 0.1743E+02 11.020 0.3219E+00 0.1743E+02
11.050 0.3183E+00 0.1744E+02 11.050 0.3182E+00 0.1744E+02
11.080 0.3147E+00 0.1745E+02 11.080 0.3146E+00 0.1745E+02
11.110 0.3110E+00 0.1746E+02 11.110 0.3110E+00 0.1746E+02
11.140 0.3074E+00 0.1747E+02 11.140 0.3074E+00 0.1747E+02
11.170 0.3039E+00 0.1748E+02 11.170 0.3038E+00 0.1748E+02
11.200 0.3003E+00 0.1749E+02 11.200 0.3003E+00 0.1749E+02
11.230 0.2968E+00 0.1750E+02 11.230 0.2967E+00 0.1750E+02
11.260 0.2933E+00 0.1751E+02 11.260 0.2932E+00 0.1751E+02
11.290 0.2898E+00 0.1752E+02 11.290 0.2897E+00 0.1752E+02
11.320 0.2863E+00 0.1753E+02 11.320 0.2863E+00 0.1753E+02
11.350 0.2829E+00 0.1753E+02 11.350 0.2828E+00 0.1753E+02
11.380 0.2795E+00 0.1754E+02 11.380 0.2794E+00 0.1754E+02
11.410 0.2760E+00 0.1755E+02 11.410 0.2760E+00 0.1755E+02
11.440 0.2727E+00 0.1756E+02 11.440 0.2726E+00 0.1756E+02
11.470 0.2693E+00 0.1757E+02 11.470 0.2693E+00 0.1757E+02
11.500 0.2660E+00 0.1758E+02 11.500 0.2659E+00 0.1758E+02
11.530 0.2626E+00 0.1758E+02 11.530 0.2626E+00 0.1758E+02
11.560 0.2593E+00 0.1759E+02 11.560 0.2593E+00 0.1759E+02
11.590 0.2561E+00 0.1760E+02 11.590 0.2560E+00 0.1760E+02
11.620 0.2528E+00 0.1761E+02 11.620 0.2527E+00 0.1761E+02
11.650 0.2496E+00 0.1761E+02 11.650 0.2495E+00 0.1761E+02
11.680 0.2463E+00 0.1762E+02 11.680 0.2463E+00 0.1762E+02
11.710 0.2431E+00 0.1763E+02 11.710 0.2431E+00 0.1763E+02
11.740 0.2400E+00 0.1764E+02 11.740 0.2399E+00 0.1764E+02
11.770 0.2368E+00 0.1764E+02 11.770 0.2368E+00 0.1764E+02
11.800 0.2337E+00 0.1765E+02 11.800 0.2336E+00 0.1765E+02
11.830 0.2306E+00 0.1766E+02 11.830 0.2305E+00 0.1766E+02
11.860 0.2275E+00 0.1766E+02 11.860 0.2274E+00 0.1766E+02
11.890 0.2244E+00 0.1767E+02 11.890 0.2244E+00 0.1767E+02
11.920 0.2213E+00 0.1768E+02 11.920 0.2213E+00 0.1768E+02
11.950 0.2183E+00 0.1768E+02 11.950 0.2183E+00 0.1768E+02
11.980 0.2153E+00 0.1769E+02 11.980 0.2153E+00 0.1769E+02
12.010 0.2123E+00 0.1770E+02 12.010 0.2123E+00 0.1770E+02
12.040 0.2094E+00 0.1770E+02 12.040 0.2093E+00 0.1770E+02
12.070 0.2064E+00 0.1771E+02 12.070 0.2064E+00 0.1771E+02
12.100 0.2035E+00 0.1772E+02 12.100 0.2034E+00 0.1772E+02
12.130 0.2006E+00 0.1772E+02 12.130 0.2005E+00 0.1772E+02
12.160 0.1977E+00 0.1773E+02 12.160 0.1977E+00 0.1773E+02
12.190 0.1948E+00 0.1773E+02 12.190 0.1948E+00 0.1773E+02
12.220 0.1920E+00 0.1774E+02 12.220 0.1920E+00 0.1774E+02
12.250 0.1892E+00 0.1775E+02 12.250 0.1891E+00 0.1775E+02
12.280 0.1864E+00 0.1775E+02 12.280 0.1863E+00 0.1775E+02
12.310 0.1836E+00 0.1776E+02 12.310 0.1836E+00 0.1776E+02
12.340 0.1808E+00 0.1776E+02 12.340 0.1808E+00 0.1776E+02
12.370 0.1781E+00 0.1777E+02 12.370 0.1781E+00 0.1777E+02
12.400 0.1754E+00 0.1777E+02 12.400 0.1753E+00 0.1777E+02
12.430 0.1727E+00 0.1778E+02 12.430 0.1727E+00 0.1778E+02
12.460 0.1700E+00 0.1778E+02 12.460 0.1700E+00 0.1778E+02
12.490 0.1674E+00 0.1779E+02 12.490 0.1673E+00 0.1779E+02
12.520 0.1647E+00 0.1779E+02 12.520 0.1647E+00 0.1779E+02
12.550 0.1621E+00 0.1780E+02 12.550 0.1621E+00 0.1780E+02
12.580 0.1595E+00 0.1780E+02 12.580 0.1595E+00 0.1780E+02
12.610 0.1569E+00 0.1781E+02 12.610 0.1569E+00 0.1781E+02
12.640 0.1544E+00 0.1781E+02 12.640 0.1544E+00 0.1781E+02
12.670 0.1519E+00 0.1782E+02 12.670 0.1518E+00 0.1782E+02
12.700 0.1494E+00 0.1782E+02 12.700 0.1493E+00 0.1782E+02
12.730 0.1469E+00 0.1783E+02 12.730 0.1468E+00 0.1783E+02
12.760 0.1444E+00 0.1783E+02 12.760 0.1444E+00 0.1783E+02
12.790 0.1420E+00 0.1783E+02 12.790 0.1419E+00 0.1783E+02
12.820 0.1395E+00 0.1784E+02 12.820 0.1395E+00 0.1784E+02
12.850 0.1371E+00 0.1784E+02 12.850 0.1371E+00 0.1784E+02
12.880 0.1348E+00 0.1785E+02 12.880 0.1347E+00 0.1785E+02
12.910 0.1324E+00 0.1785E+02 12.910 0.1324E+00 0.1785E+02
12.940 0.1301E+00 0.1785E+02 12.940 0.1300E+00 0.1785E+02
12.970 0.1277E+00 0.1786E+02 12.970 0.1277E+00 0.1786E+02
13.000 0.1254E+00 0.1786E+02 13.000 0.1254E+00 0.1786E+02

512
python/converters/plovasp/test/_proj_group/simple/EIGENVAL
View File

@ -6,273 +6,273 @@
11 8 32 11 8 32
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.1250000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.1250000E+00
1 -31.020680 1.000000 1 -31.021111 1.000000
2 -31.019871 1.000000 2 -31.020263 1.000000
3 -30.942746 1.000000 3 -30.943203 1.000000
4 -0.679374 1.000000 4 -0.679392 1.000000
5 6.364813 1.000000 5 6.364495 1.000000
6 6.404261 1.415536 6 6.403995 1.415392
7 6.405444 0.656204 7 6.405118 0.656552
8 8.427772 0.000000 8 8.427467 0.000000
9 8.462772 0.000000 9 8.462406 0.000000
10 27.065198 0.000000 10 27.065256 0.000000
11 27.079724 0.000000 11 27.079669 0.000000
12 27.084747 0.000000 12 27.084811 0.000000
13 33.492581 0.000000 13 33.492553 0.000000
14 33.508078 0.000000 14 33.508012 0.000000
15 36.343462 0.000000 15 36.342831 0.000000
16 37.462385 0.000000 16 37.462161 0.000000
17 37.501008 0.000000 17 37.500834 0.000000
18 37.516841 0.000000 18 37.516710 0.000000
19 39.101944 0.000000 19 39.101935 0.000000
20 39.120741 0.000000 20 39.120622 0.000000
21 39.134471 0.000000 21 39.134351 0.000000
22 52.734433 0.000000 22 52.734414 0.000000
23 64.286203 0.000000 23 64.286218 0.000000
24 64.286613 0.000000 24 64.286476 0.000000
25 64.300889 0.000000 25 64.300824 0.000000
26 68.433729 0.000000 26 68.433639 0.000000
27 68.438554 0.000000 27 68.438526 0.000000
28 79.314849 0.000000 28 79.314749 0.000000
29 82.561972 0.000000 29 82.561855 0.000000
30 90.201981 0.000000 30 90.201928 0.000000
31 90.212381 0.000000 31 90.212352 0.000000
32 90.214678 0.000000 32 90.214646 0.000000
0.5000000E+00 0.0000000E+00 0.0000000E+00 0.1250000E+00 0.5000000E+00 0.0000000E+00 0.0000000E+00 0.1250000E+00
1 -31.933395 1.000000 1 -31.933859 1.000000
2 -31.273572 1.000000 2 -31.273994 1.000000
3 -31.002443 1.000000 3 -31.002804 1.000000
4 2.752150 1.000000 4 2.751953 1.000000
5 4.826769 1.000000 5 4.826546 1.000000
6 7.608240 0.506105 6 7.608192 0.506181
7 8.448279 0.013670 7 8.447978 0.013698
8 8.805947 0.000000 8 8.805597 0.000000
9 10.160839 0.000000 9 10.160425 0.000000
10 16.239165 0.000000 10 16.238915 0.000000
11 22.208044 0.000000 11 22.208053 0.000000
12 26.097246 0.000000 12 26.097135 0.000000
13 29.208505 0.000000 13 29.208402 0.000000
14 32.785131 0.000000 14 32.785001 0.000000
15 36.047835 0.000000 15 36.047820 0.000000
16 36.343562 0.000000 16 36.342931 0.000000
17 40.973507 0.000000 17 40.973475 0.000000
18 44.037471 0.000000 18 44.037433 0.000000
19 49.819921 0.000000 19 49.819956 0.000000
20 50.270924 0.000000 20 50.270827 0.000000
21 53.534551 0.000000 21 53.534472 0.000000
22 54.514844 0.000000 22 54.514864 0.000000
23 57.450422 0.000000 23 57.450384 0.000000
24 59.480733 0.000000 24 59.480652 0.000000
25 60.311123 0.000000 25 60.310993 0.000000
26 61.311374 0.000000 26 61.311370 0.000000
27 65.711204 0.000000 27 65.711112 0.000000
28 66.022779 0.000000 28 66.022757 0.000000
29 73.053738 0.000000 29 73.053660 0.000000
30 74.112887 0.000000 30 74.112791 0.000000
31 76.351830 0.000000 31 76.351795 0.000000
32 81.860850 0.000000 32 81.860817 0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.1250000E+00 0.0000000E+00 0.5000000E+00 0.0000000E+00 0.1250000E+00
1 -31.933343 1.000000 1 -31.933793 1.000000
2 -31.273638 1.000000 2 -31.274078 1.000000
3 -31.002430 1.000000 3 -31.002789 1.000000
4 2.752168 1.000000 4 2.751975 1.000000
5 4.826745 1.000000 5 4.826515 1.000000
6 7.608252 0.505600 6 7.608206 0.505538
7 8.448246 0.013673 7 8.447936 0.013703
8 8.805987 0.000000 8 8.805647 0.000000
9 10.160833 0.000000 9 10.160418 0.000000
10 16.239169 0.000000 10 16.238920 0.000000
11 22.208044 0.000000 11 22.208053 0.000000
12 26.097241 0.000000 12 26.097129 0.000000
13 29.208479 0.000000 13 29.208369 0.000000
14 32.785148 0.000000 14 32.785021 0.000000
15 36.047842 0.000000 15 36.047830 0.000000
16 36.343562 0.000000 16 36.342930 0.000000
17 40.973518 0.000000 17 40.973489 0.000000
18 44.037471 0.000000 18 44.037433 0.000000
19 49.819911 0.000000 19 49.819942 0.000000
20 50.270930 0.000000 20 50.270835 0.000000
21 53.534539 0.000000 21 53.534457 0.000000
22 54.514833 0.000000 22 54.514850 0.000000
23 57.450420 0.000000 23 57.450381 0.000000
24 59.480738 0.000000 24 59.480660 0.000000
25 60.311121 0.000000 25 60.310990 0.000000
26 61.311384 0.000000 26 61.311383 0.000000
27 65.711204 0.000000 27 65.711111 0.000000
28 66.022787 0.000000 28 66.022767 0.000000
29 73.053736 0.000000 29 73.053657 0.000000
30 74.112888 0.000000 30 74.112794 0.000000
31 76.351830 0.000000 31 76.351794 0.000000
32 81.860849 0.000000 32 81.860816 0.000000
0.5000000E+00 0.5000000E+00 0.0000000E+00 0.1250000E+00 0.5000000E+00 0.5000000E+00 0.0000000E+00 0.1250000E+00
1 -31.948152 1.000000 1 -31.948528 1.000000
2 -31.310265 1.000000 2 -31.310684 1.000000
3 -30.950210 1.000000 3 -30.950673 1.000000
4 2.741086 1.000000 4 2.741003 1.000000
5 4.836620 1.000000 5 4.836373 1.000000
6 7.603079 0.595232 6 7.603011 0.595059
7 8.460583 0.010154 7 8.460253 0.010175
8 8.831478 0.000000 8 8.831092 0.000000
9 10.126398 0.000000 9 10.126016 0.000000
10 16.242721 0.000000 10 16.242467 0.000000
11 22.221575 0.000000 11 22.221595 0.000000
12 26.073240 0.000000 12 26.073121 0.000000
13 29.218196 0.000000 13 29.217952 0.000000
14 32.780539 0.000000 14 32.780485 0.000000
15 36.043332 0.000000 15 36.043292 0.000000
16 36.343514 0.000000 16 36.342883 0.000000
17 40.971434 0.000000 17 40.971367 0.000000
18 44.044361 0.000000 18 44.044386 0.000000
19 49.830929 0.000000 19 49.830891 0.000000
20 50.263766 0.000000 20 50.263669 0.000000
21 53.508420 0.000000 21 53.508411 0.000000
22 54.528036 0.000000 22 54.528041 0.000000
23 57.471129 0.000000 23 57.471079 0.000000
24 59.502146 0.000000 24 59.502054 0.000000
25 60.287778 0.000000 25 60.287748 0.000000
26 61.298424 0.000000 26 61.298391 0.000000
27 65.706748 0.000000 27 65.706780 0.000000
28 66.013752 0.000000 28 66.013723 0.000000
29 73.071023 0.000000 29 73.071047 0.000000
30 74.111303 0.000000 30 74.111180 0.000000
31 76.360168 0.000000 31 76.360179 0.000000
32 81.882584 0.000000 32 81.882467 0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.1250000E+00 0.0000000E+00 0.0000000E+00 0.5000000E+00 0.1250000E+00
1 -31.874267 1.000000 1 -31.874707 1.000000
2 -31.309759 1.000000 2 -31.310174 1.000000
3 -31.027277 1.000000 3 -31.027669 1.000000
4 2.766092 1.000000 4 2.765955 1.000000
5 4.801790 1.000000 5 4.801511 1.000000
6 7.628443 0.223194 6 7.628387 0.223703
7 8.412045 0.017633 7 8.411721 0.017667
8 8.833228 0.000000 8 8.832844 0.000000
9 10.170369 0.000000 9 10.169959 0.000000
10 16.237431 0.000000 10 16.237204 0.000000
11 22.201500 0.000000 11 22.201523 0.000000
12 26.101570 0.000000 12 26.101569 0.000000
13 29.186479 0.000000 13 29.186259 0.000000
14 32.798847 0.000000 14 32.798755 0.000000
15 36.060865 0.000000 15 36.060893 0.000000
16 36.343553 0.000000 16 36.342922 0.000000
17 40.988399 0.000000 17 40.988355 0.000000
18 44.032182 0.000000 18 44.032179 0.000000
19 49.810203 0.000000 19 49.810117 0.000000
20 50.271233 0.000000 20 50.271147 0.000000
21 53.517876 0.000000 21 53.517868 0.000000
22 54.505386 0.000000 22 54.505287 0.000000
23 57.444388 0.000000 23 57.444224 0.000000
24 59.484129 0.000000 24 59.484045 0.000000
25 60.310939 0.000000 25 60.310980 0.000000
26 61.315157 0.000000 26 61.315133 0.000000
27 65.705114 0.000000 27 65.705227 0.000000
28 66.032225 0.000000 28 66.032257 0.000000
29 73.055267 0.000000 29 73.055084 0.000000
30 74.129645 0.000000 30 74.129620 0.000000
31 76.343566 0.000000 31 76.343440 0.000000
32 81.873457 0.000000 32 81.873313 0.000000
0.5000000E+00 0.0000000E+00 0.5000000E+00 0.1250000E+00 0.5000000E+00 0.0000000E+00 0.5000000E+00 0.1250000E+00
1 -31.929394 1.000000 1 -31.929739 1.000000
2 -31.272845 1.000000 2 -31.273260 1.000000
3 -31.007780 1.000000 3 -31.008274 1.000000
4 2.755426 1.000000 4 2.755281 1.000000
5 4.827808 1.000000 5 4.827532 1.000000
6 7.611388 0.251588 6 7.611388 0.251113
7 8.446597 0.011139 7 8.446211 0.011164
8 8.806248 0.000000 8 8.805913 0.000000
9 10.162064 0.000000 9 10.161691 0.000000
10 16.233228 0.000000 10 16.232955 0.000000
11 22.203245 0.000000 11 22.203248 0.000000
12 26.095535 0.000000 12 26.095501 0.000000
13 29.204827 0.000000 13 29.204662 0.000000
14 32.791944 0.000000 14 32.791814 0.000000
15 36.047720 0.000000 15 36.047734 0.000000
16 36.343556 0.000000 16 36.342925 0.000000
17 40.976756 0.000000 17 40.976757 0.000000
18 44.037506 0.000000 18 44.037429 0.000000
19 49.817858 0.000000 19 49.817837 0.000000
20 50.271783 0.000000 20 50.271685 0.000000
21 53.536664 0.000000 21 53.536577 0.000000
22 54.518111 0.000000 22 54.518061 0.000000
23 57.450987 0.000000 23 57.450952 0.000000
24 59.475442 0.000000 24 59.475367 0.000000
25 60.309902 0.000000 25 60.309855 0.000000
26 61.312365 0.000000 26 61.312344 0.000000
27 65.704515 0.000000 27 65.704469 0.000000
28 66.023056 0.000000 28 66.023063 0.000000
29 73.063263 0.000000 29 73.063148 0.000000
30 74.111293 0.000000 30 74.111263 0.000000
31 76.356510 0.000000 31 76.356404 0.000000
32 81.861150 0.000000 32 81.861117 0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.1250000E+00 0.0000000E+00 0.5000000E+00 0.5000000E+00 0.1250000E+00
1 -31.929400 1.000000 1 -31.929745 1.000000
2 -31.272788 1.000000 2 -31.273188 1.000000
3 -31.007832 1.000000 3 -31.008340 1.000000
4 2.755424 1.000000 4 2.755278 1.000000
5 4.827812 1.000000 5 4.827537 1.000000
6 7.611393 0.251470 6 7.611394 0.250970
7 8.446603 0.011139 7 8.446217 0.011163
8 8.806208 0.000000 8 8.805863 0.000000
9 10.162098 0.000000 9 10.161734 0.000000
10 16.233219 0.000000 10 16.232944 0.000000
11 22.203229 0.000000 11 22.203227 0.000000
12 26.095552 0.000000 12 26.095523 0.000000
13 29.204834 0.000000 13 29.204671 0.000000
14 32.791946 0.000000 14 32.791816 0.000000
15 36.047722 0.000000 15 36.047737 0.000000
16 36.343556 0.000000 16 36.342926 0.000000
17 40.976756 0.000000 17 40.976757 0.000000
18 44.037500 0.000000 18 44.037421 0.000000
19 49.817858 0.000000 19 49.817837 0.000000
20 50.271784 0.000000 20 50.271686 0.000000
21 53.536682 0.000000 21 53.536601 0.000000
22 54.518114 0.000000 22 54.518064 0.000000
23 57.450969 0.000000 23 57.450929 0.000000
24 59.475421 0.000000 24 59.475339 0.000000
25 60.309915 0.000000 25 60.309871 0.000000
26 61.312369 0.000000 26 61.312349 0.000000
27 65.704507 0.000000 27 65.704459 0.000000
28 66.023060 0.000000 28 66.023068 0.000000
29 73.063261 0.000000 29 73.063144 0.000000
30 74.111299 0.000000 30 74.111271 0.000000
31 76.356505 0.000000 31 76.356399 0.000000
32 81.861144 0.000000 32 81.861109 0.000000
0.5000000E+00 0.5000000E+00 0.5000000E+00 0.1250000E+00 0.5000000E+00 0.5000000E+00 0.5000000E+00 0.1250000E+00
1 -31.653480 1.000000 1 -31.653896 1.000000
2 -31.653255 1.000000 2 -31.653637 1.000000
3 -31.577516 1.000000 3 -31.577957 1.000000
4 2.924673 1.000000 4 2.924545 1.000000
5 2.948894 1.000000 5 2.948676 1.000000
6 9.729028 -0.411091 6 9.728656 -0.410809
7 9.770955 -0.071247 7 9.770545 -0.071269
8 9.774835 0.000000 8 9.774471 0.000000
9 16.288569 0.000000 9 16.288506 0.000000
10 16.305899 0.000000 10 16.305801 0.000000
11 16.334430 0.000000 11 16.334443 0.000000
12 22.925559 0.000000 12 22.925373 0.000000
13 22.949174 0.000000 13 22.948902 0.000000
14 28.058231 0.000000 14 28.058156 0.000000
15 36.343851 0.000000 15 36.343220 0.000000
16 39.981215 0.000000 16 39.981182 0.000000
17 50.686099 0.000000 17 50.686085 0.000000
18 50.688892 0.000000 18 50.688789 0.000000
19 50.689317 0.000000 19 50.689232 0.000000
20 50.698836 0.000000 20 50.698814 0.000000
21 50.703385 0.000000 21 50.703342 0.000000
22 50.711331 0.000000 22 50.711288 0.000000
23 61.415444 0.000000 23 61.415419 0.000000
24 70.116394 0.000000 24 70.116279 0.000000
25 70.135258 0.000000 25 70.135212 0.000000
26 70.141124 0.000000 26 70.141056 0.000000
27 73.355579 0.000000 27 73.355489 0.000000
28 73.356239 0.000000 28 73.356214 0.000000
29 73.373698 0.000000 29 73.373727 0.000000
30 75.649711 0.000000 30 75.649726 0.000000
31 75.664333 0.000000 31 75.664253 0.000000
32 75.665398 0.000000 32 75.665433 0.000000

2820
python/converters/plovasp/test/_proj_group/simple/LOCPROJ
View File

File diff suppressed because it is too large Load Diff