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Commit 2b2101b9 authored by Karl-Michael Schindler's avatar Karl-Michael Schindler
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Update 

update logging after working on tests/SetEpsTestCasesFromScratch/f90/doeels.f90
parent f5e60b31
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tests/setepslog/logFiles/seteps020.log
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1 1
1 1
No-layers
SrTiO_3 5.100000 6
50.02110 34.87380 0.5000000E-01
173.0710 5.000010 0.5000000E-01
548.7230 10.00000 0.5000000E-01
170.9400 4.699990 0.5000000E-01
493.8810 15.37830 0.5000000E-01
823.4110 52.69030 0.5000000E-01
SrTiO_3 5.100000 6
50.02110 34.87380 0.5000000E-01
173.0710 5.000010 0.5000000E-01
548.7230 10.00000 0.5000000E-01
170.9400 4.699990 0.5000000E-01
493.8810 15.37830 0.5000000E-01
823.4110 52.69030 0.5000000E-01
50.00000 105.9704 698.0267
52.00000 -211.1375 197.2444
54.00000 -96.10066 62.67209
......
tests/setepslog/logFiles/seteps021.log
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SrTiO_3 5.010000 6
93.00000 42.87400 0.5000000E-01
175.9900 8.993500 0.5000000E-01
547.9900 18.99900 0.5000000E-01
172.7900 4.191800 0.5000000E-01
472.5300 9.999900 0.5000000E-01
795.0000 26.00000 0.5000000E-01
SrTiO_3 5.010000 6
93.00000 42.87400 0.5000000E-01
175.9900 8.993500 0.5000000E-01
547.9900 18.99900 0.5000000E-01
172.7900 4.191800 0.5000000E-01
472.5300 9.999900 0.5000000E-01
795.0000 26.00000 0.5000000E-01
50.00000 134.9577 2.724967
52.00000 137.1456 3.002391
54.00000 139.5738 3.319306
......
tests/setepslog/logFiles/seteps022.log
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SrTiO_3 5.200000 6
88.55330 27.99990 0.5000000E-01
175.9990 5.999990 0.5000000E-01
543.0000 18.74960 0.5000000E-01
171.9670 3.099990 0.5000000E-01
475.9990 4.621630 0.5000000E-01
796.5560 25.00000 0.5000000E-01
SrTiO_3 5.200000 6
88.55330 27.99990 0.5000000E-01
175.9990 5.999990 0.5000000E-01
543.0000 18.74960 0.5000000E-01
171.9670 3.099990 0.5000000E-01
475.9990 4.621630 0.5000000E-01
796.5560 25.00000 0.5000000E-01
50.00000 104.8257 2.046917
52.00000 106.5407 2.274077
54.00000 108.4640 2.538181
......
tests/setepslog/logFiles/seteps023.log
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STO 5.142850 6
98.00000 62.48800 0.5000000E-01
174.3670 9.892160 0.5000000E-01
548.8210 25.00000 0.5000000E-01
171.6790 6.111240 0.5000000E-01
475.6240 29.97720 0.5000000E-01
817.3690 60.00000 0.5000000E-01
STO 5.142850 6
98.00000 62.48800 0.5000000E-01
174.3670 9.892160 0.5000000E-01
548.8210 25.00000 0.5000000E-01
171.6790 6.111240 0.5000000E-01
475.6240 29.97720 0.5000000E-01
817.3690 60.00000 0.5000000E-01
50.00000 222.7175 3.646357
52.00000 225.3901 3.978110
54.00000 228.3280 4.350262
......
tests/setepslog/logFiles/seteps024.log
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1 1
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SrTiO_3 5.142850 8
98.00000 62.48800 0.5000000E-01
174.3670 9.892160 0.5000000E-01
548.8210 25.00000 0.5000000E-01
0.000000 -100.0000 0.5000000E-01
171.6790 6.111240 0.5000000E-01
475.6240 29.97720 0.5000000E-01
817.3690 60.00000 0.5000000E-01
200.0000 0.000000 0.5000000E-01
SrTiO_3 5.142850 8
98.00000 62.48800 0.5000000E-01
174.3670 9.892160 0.5000000E-01
548.8210 25.00000 0.5000000E-01
0.000000 -100.0000 0.5000000E-01
171.6790 6.111240 0.5000000E-01
475.6240 29.97720 0.5000000E-01
817.3690 60.00000 0.5000000E-01
200.0000 0.000000 0.5000000E-01
50.00000 222.7175 3.646357
52.00000 225.3901 3.978110
54.00000 228.3280 4.350262
......
tests/setepslog/logFiles/seteps025.log
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1 1
1 1
N
NiO 5.250000 2
398.1500 5.947140 0.3452290E-01
562.0100 0.9265700E-01 0.1238020
NiO 5.250000 2
398.1500 5.947140 0.3452290E-01
562.0100 0.9265700E-01 0.1238020
100.0000 11.69265 0.6091488E-01
102.0000 11.71006 0.6246604E-01
104.0000 11.72792 0.6403982E-01
......
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