From 6fb2ddd12536e47c1349698d50ed5724b6cd92d5 Mon Sep 17 00:00:00 2001
From: kamischi <karl-michael.schindler@web.de>
Date: Wed, 28 Aug 2024 15:40:53 +0200
Subject: [PATCH] fix lorentz in WFW seteps
---
.../WFW/epsLog/seteps001.log | 652 +++++++++---------
.../WFW/myEels20-seteps.f90 | 7 +-
2 files changed, 330 insertions(+), 329 deletions(-)
diff --git a/tests/SetEpsTestCasesFromScratch/WFW/epsLog/seteps001.log b/tests/SetEpsTestCasesFromScratch/WFW/epsLog/seteps001.log
index 51ad4ae..f0ccb52 100644
--- a/tests/SetEpsTestCasesFromScratch/WFW/epsLog/seteps001.log
+++ b/tests/SetEpsTestCasesFromScratch/WFW/epsLog/seteps001.log
@@ -3,329 +3,329 @@ No-layers
MnO 4.950000 1
-269.0000 16.00000 0.5000000E-01
- 50.00000 86.98420 0.2935622E-02
- 52.00000 87.22445 0.3070956E-02
- 54.00000 87.47561 0.3208570E-02
- 56.00000 87.73788 0.3348589E-02
- 58.00000 88.01145 0.3491140E-02
- 60.00000 88.29654 0.3636358E-02
- 62.00000 88.59335 0.3784380E-02
- 64.00000 88.90212 0.3935352E-02
- 66.00000 89.22309 0.4089423E-02
- 68.00000 89.55651 0.4246750E-02
- 70.00000 89.90266 0.4407499E-02
- 72.00000 90.26181 0.4571840E-02
- 74.00000 90.63425 0.4739953E-02
- 76.00000 91.02030 0.4912025E-02
- 78.00000 91.42029 0.5088253E-02
- 80.00000 91.83454 0.5268843E-02
- 82.00000 92.26342 0.5454013E-02
- 84.00000 92.70731 0.5643989E-02
- 86.00000 93.16660 0.5839011E-02
- 88.00000 93.64169 0.6039331E-02
- 90.00000 94.13304 0.6245214E-02
- 92.00000 94.64108 0.6456938E-02
- 94.00000 95.16631 0.6674800E-02
- 96.00000 95.70922 0.6899110E-02
- 98.00000 96.27035 0.7130196E-02
- 100.0000 96.85024 0.7368407E-02
- 102.0000 97.44949 0.7614110E-02
- 104.0000 98.06871 0.7867695E-02
- 106.0000 98.70855 0.8129575E-02
- 108.0000 99.36968 0.8400189E-02
- 110.0000 100.0528 0.8680001E-02
- 112.0000 100.7587 0.8969506E-02
- 114.0000 101.4882 0.9269230E-02
- 116.0000 102.2421 0.9579733E-02
- 118.0000 103.0213 0.9901612E-02
- 120.0000 103.8267 0.1023550E-01
- 122.0000 104.6593 0.1058209E-01
- 124.0000 105.5202 0.1094209E-01
- 126.0000 106.4104 0.1131629E-01
- 128.0000 107.3312 0.1170551E-01
- 130.0000 108.2837 0.1211066E-01
- 132.0000 109.2693 0.1253268E-01
- 134.0000 110.2894 0.1297260E-01
- 136.0000 111.3455 0.1343152E-01
- 138.0000 112.4390 0.1391065E-01
- 140.0000 113.5717 0.1441125E-01
- 142.0000 114.7454 0.1493472E-01
- 144.0000 115.9619 0.1548254E-01
- 146.0000 117.2233 0.1605633E-01
- 148.0000 118.5317 0.1665784E-01
- 150.0000 119.8894 0.1728897E-01
- 152.0000 121.2988 0.1795178E-01
- 154.0000 122.7625 0.1864851E-01
- 156.0000 124.2835 0.1938160E-01
- 158.0000 125.8646 0.2015372E-01
- 160.0000 127.5092 0.2096776E-01
- 162.0000 129.2207 0.2182693E-01
- 164.0000 131.0028 0.2273470E-01
- 166.0000 132.8596 0.2369490E-01
- 168.0000 134.7955 0.2471174E-01
- 170.0000 136.8151 0.2578987E-01
- 172.0000 138.9237 0.2693441E-01
- 174.0000 141.1266 0.2815103E-01
- 176.0000 143.4299 0.2944601E-01
- 178.0000 145.8402 0.3082634E-01
- 180.0000 148.3646 0.3229978E-01
- 182.0000 151.0109 0.3387502E-01
- 184.0000 153.7876 0.3556176E-01
- 186.0000 156.7040 0.3737091E-01
- 188.0000 159.7705 0.3931471E-01
- 190.0000 162.9983 0.4140700E-01
- 192.0000 166.4000 0.4366341E-01
- 194.0000 169.9893 0.4610170E-01
- 196.0000 173.7817 0.4874209E-01
- 198.0000 177.7941 0.5160769E-01
- 200.0000 182.0456 0.5472501E-01
- 202.0000 186.5576 0.5812456E-01
- 204.0000 191.3540 0.6184162E-01
- 206.0000 196.4618 0.6591718E-01
- 208.0000 201.9116 0.7039902E-01
- 210.0000 207.7380 0.7534318E-01
- 212.0000 213.9805 0.8081569E-01
- 214.0000 220.6846 0.8689480E-01
- 216.0000 227.9024 0.9367381E-01
- 218.0000 235.6941 0.1012647
- 220.0000 244.1299 0.1098026
- 222.0000 253.2921 0.1194521
- 224.0000 263.2772 0.1304154
- 226.0000 274.2002 0.1429423
- 228.0000 286.1979 0.1573454
- 230.0000 299.4359 0.1740192
- 232.0000 314.1149 0.1934678
- 234.0000 330.4819 0.2163433
- 236.0000 348.8437 0.2435011
- 238.0000 369.5862 0.2760814
- 240.0000 393.2020 0.3156306
- 242.0000 420.3292 0.3642885
- 244.0000 451.8105 0.4250837
- 246.0000 488.7816 0.5024169
- 248.0000 532.8107 0.6028804
- 250.0000 586.1266 0.7367110
- 252.0000 652.0065 0.9205049
- 254.0000 735.4760 1.182623
- 256.0000 844.6527 1.574827
- 258.0000 993.5584 2.199939
- 260.0000 1208.678 3.286802
- 262.0000 1546.763 5.433886
- 264.0000 2155.363 10.65120
- 266.0000 3575.416 29.58704
- 268.0000 10670.55 266.1434
- 270.0000 -10621.02 266.1421
- 272.0000 -3525.912 29.58701
- 274.0000 -2105.859 10.65123
- 276.0000 -1497.256 5.433930
- 278.0000 -1159.166 3.286862
- 280.0000 -944.0416 2.200014
- 282.0000 -795.1294 1.574916
- 284.0000 -685.9450 1.182726
- 286.0000 -602.4669 0.9206212
- 288.0000 -536.5770 0.7368411
- 290.0000 -483.2502 0.6030244
- 292.0000 -439.2090 0.5025747
- 294.0000 -402.2248 0.4252554
- 296.0000 -370.7292 0.3644741
- 298.0000 -343.5866 0.3158301
- 300.0000 -319.9543 0.2762948
- 302.0000 -299.1941 0.2437285
- 304.0000 -280.8135 0.2165847
- 306.0000 -264.4267 0.1937233
- 308.0000 -249.7266 0.1742888
- 310.0000 -236.4666 0.1576291
- 312.0000 -224.4455 0.1432402
- 314.0000 -213.4982 0.1307275
- 316.0000 -203.4875 0.1197786
- 318.0000 -194.2987 0.1101434
- 320.0000 -185.8350 0.1016199
- 322.0000 -178.0143 0.9404350E-01
- 324.0000 -170.7664 0.8727902E-01
- 326.0000 -164.0310 0.8121451E-01
- 328.0000 -157.7559 0.7575666E-01
- 330.0000 -151.8958 0.7082723E-01
- 332.0000 -146.4112 0.6636020E-01
- 334.0000 -141.2674 0.6229953E-01
- 336.0000 -136.4337 0.5859743E-01
- 338.0000 -131.8833 0.5521293E-01
- 340.0000 -127.5922 0.5211075E-01
- 342.0000 -123.5389 0.4926037E-01
- 344.0000 -119.7045 0.4663529E-01
- 346.0000 -116.0719 0.4421240E-01
- 348.0000 -112.6257 0.4197149E-01
- 350.0000 -109.3521 0.3989481E-01
- 352.0000 -106.2385 0.3796671E-01
- 354.0000 -103.2738 0.3617337E-01
- 356.0000 -100.4475 0.3450255E-01
- 358.0000 -97.75040 0.3294334E-01
- 360.0000 -95.17388 0.3148605E-01
- 362.0000 -92.71015 0.3012199E-01
- 364.0000 -90.35208 0.2884340E-01
- 366.0000 -88.09312 0.2764330E-01
- 368.0000 -85.92723 0.2651541E-01
- 370.0000 -83.84888 0.2545405E-01
- 372.0000 -81.85294 0.2445413E-01
- 374.0000 -79.93470 0.2351098E-01
- 376.0000 -78.08979 0.2262042E-01
- 378.0000 -76.31414 0.2177860E-01
- 380.0000 -74.60400 0.2098205E-01
- 382.0000 -72.95589 0.2022759E-01
- 384.0000 -71.36654 0.1951232E-01
- 386.0000 -69.83294 0.1883357E-01
- 388.0000 -68.35226 0.1818891E-01
- 390.0000 -66.92187 0.1757611E-01
- 392.0000 -65.53929 0.1699310E-01
- 394.0000 -64.20223 0.1643800E-01
- 396.0000 -62.90852 0.1590905E-01
- 398.0000 -61.65613 0.1540465E-01
- 400.0000 -60.44316 0.1492330E-01
- 402.0000 -59.26782 0.1446364E-01
- 404.0000 -58.12843 0.1402437E-01
- 406.0000 -57.02341 0.1360433E-01
- 408.0000 -55.95126 0.1320240E-01
- 410.0000 -54.91057 0.1281757E-01
- 412.0000 -53.90001 0.1244889E-01
- 414.0000 -52.91834 0.1209547E-01
- 416.0000 -51.96435 0.1175648E-01
- 418.0000 -51.03694 0.1143115E-01
- 420.0000 -50.13503 0.1111877E-01
- 422.0000 -49.25761 0.1081865E-01
- 424.0000 -48.40373 0.1053018E-01
- 426.0000 -47.57249 0.1025275E-01
- 428.0000 -46.76301 0.9985819E-02
- 430.0000 -45.97449 0.9728863E-02
- 432.0000 -45.20614 0.9481395E-02
- 434.0000 -44.45722 0.9242957E-02
- 436.0000 -43.72704 0.9013118E-02
- 438.0000 -43.01491 0.8791472E-02
- 440.0000 -42.32019 0.8577638E-02
- 442.0000 -41.64229 0.8371255E-02
- 444.0000 -40.98060 0.8171985E-02
- 446.0000 -40.33459 0.7979505E-02
- 448.0000 -39.70371 0.7793515E-02
- 450.0000 -39.08746 0.7613727E-02
- 452.0000 -38.48535 0.7439872E-02
- 454.0000 -37.89693 0.7271693E-02
- 456.0000 -37.32174 0.7108948E-02
- 458.0000 -36.75936 0.6951408E-02
- 460.0000 -36.20938 0.6798855E-02
- 462.0000 -35.67141 0.6651083E-02
- 464.0000 -35.14509 0.6507895E-02
- 466.0000 -34.63003 0.6369107E-02
- 468.0000 -34.12592 0.6234541E-02
- 470.0000 -33.63240 0.6104029E-02
- 472.0000 -33.14917 0.5977413E-02
- 474.0000 -32.67591 0.5854539E-02
- 476.0000 -32.21235 0.5735265E-02
- 478.0000 -31.75818 0.5619451E-02
- 480.0000 -31.31314 0.5506966E-02
- 482.0000 -30.87698 0.5397687E-02
- 484.0000 -30.44943 0.5291493E-02
- 486.0000 -30.03026 0.5188271E-02
- 488.0000 -29.61923 0.5087912E-02
- 490.0000 -29.21612 0.4990312E-02
- 492.0000 -28.82071 0.4895373E-02
- 494.0000 -28.43279 0.4803000E-02
- 496.0000 -28.05217 0.4713102E-02
- 498.0000 -27.67863 0.4625593E-02
- 500.0000 -27.31201 0.4540389E-02
- 502.0000 -26.95211 0.4457413E-02
- 504.0000 -26.59877 0.4376587E-02
- 506.0000 -26.25180 0.4297839E-02
- 508.0000 -25.91106 0.4221100E-02
- 510.0000 -25.57637 0.4146302E-02
- 512.0000 -25.24760 0.4073381E-02
- 514.0000 -24.92459 0.4002277E-02
- 516.0000 -24.60719 0.3932930E-02
- 518.0000 -24.29527 0.3865283E-02
- 520.0000 -23.98870 0.3799283E-02
- 522.0000 -23.68734 0.3734876E-02
- 524.0000 -23.39108 0.3672014E-02
- 526.0000 -23.09978 0.3610647E-02
- 528.0000 -22.81334 0.3550729E-02
- 530.0000 -22.53163 0.3492215E-02
- 532.0000 -22.25455 0.3435064E-02
- 534.0000 -21.98198 0.3379233E-02
- 536.0000 -21.71383 0.3324683E-02
- 538.0000 -21.45000 0.3271375E-02
- 540.0000 -21.19038 0.3219273E-02
- 542.0000 -20.93488 0.3168342E-02
- 544.0000 -20.68342 0.3118546E-02
- 546.0000 -20.43589 0.3069853E-02
- 548.0000 -20.19221 0.3022232E-02
- 550.0000 -19.95230 0.2975651E-02
- 552.0000 -19.71608 0.2930081E-02
- 554.0000 -19.48346 0.2885494E-02
- 556.0000 -19.25438 0.2841861E-02
- 558.0000 -19.02874 0.2799157E-02
- 560.0000 -18.80649 0.2757355E-02
- 562.0000 -18.58754 0.2716432E-02
- 564.0000 -18.37184 0.2676362E-02
- 566.0000 -18.15930 0.2637123E-02
- 568.0000 -17.94987 0.2598692E-02
- 570.0000 -17.74349 0.2561048E-02
- 572.0000 -17.54009 0.2524170E-02
- 574.0000 -17.33960 0.2488037E-02
- 576.0000 -17.14198 0.2452630E-02
- 578.0000 -16.94716 0.2417930E-02
- 580.0000 -16.75509 0.2383919E-02
- 582.0000 -16.56572 0.2350579E-02
- 584.0000 -16.37898 0.2317893E-02
- 586.0000 -16.19484 0.2285844E-02
- 588.0000 -16.01323 0.2254416E-02
- 590.0000 -15.83412 0.2223593E-02
- 592.0000 -15.65744 0.2193361E-02
- 594.0000 -15.48316 0.2163704E-02
- 596.0000 -15.31123 0.2134609E-02
- 598.0000 -15.14161 0.2106061E-02
- 600.0000 -14.97425 0.2078047E-02
- 602.0000 -14.80911 0.2050555E-02
- 604.0000 -14.64615 0.2023572E-02
- 606.0000 -14.48532 0.1997085E-02
- 608.0000 -14.32660 0.1971082E-02
- 610.0000 -14.16994 0.1945553E-02
- 612.0000 -14.01530 0.1920486E-02
- 614.0000 -13.86265 0.1895870E-02
- 616.0000 -13.71195 0.1871694E-02
- 618.0000 -13.56317 0.1847950E-02
- 620.0000 -13.41627 0.1824625E-02
- 622.0000 -13.27121 0.1801712E-02
- 624.0000 -13.12798 0.1779200E-02
- 626.0000 -12.98653 0.1757080E-02
- 628.0000 -12.84684 0.1735344E-02
- 630.0000 -12.70887 0.1713983E-02
- 632.0000 -12.57259 0.1692988E-02
- 634.0000 -12.43798 0.1672352E-02
- 636.0000 -12.30501 0.1652067E-02
- 638.0000 -12.17364 0.1632124E-02
- 640.0000 -12.04386 0.1612516E-02
- 642.0000 -11.91563 0.1593237E-02
- 644.0000 -11.78893 0.1574278E-02
- 646.0000 -11.66374 0.1555634E-02
- 648.0000 -11.54002 0.1537297E-02
- 650.0000 -11.41776 0.1519260E-02
- 652.0000 -11.29693 0.1501518E-02
- 654.0000 -11.17751 0.1484064E-02
- 656.0000 -11.05947 0.1466892E-02
- 658.0000 -10.94280 0.1449997E-02
- 660.0000 -10.82747 0.1433371E-02
- 662.0000 -10.71345 0.1417011E-02
- 664.0000 -10.60074 0.1400910E-02
- 666.0000 -10.48930 0.1385064E-02
- 668.0000 -10.37912 0.1369466E-02
- 670.0000 -10.27018 0.1354112E-02
- 672.0000 -10.16246 0.1338997E-02
- 674.0000 -10.05593 0.1324117E-02
- 676.0000 -9.950592 0.1309465E-02
- 678.0000 -9.846413 0.1295039E-02
- 680.0000 -9.743380 0.1280833E-02
- 682.0000 -9.641474 0.1266844E-02
- 684.0000 -9.540679 0.1253066E-02
- 686.0000 -9.440978 0.1239496E-02
- 688.0000 -9.342354 0.1226129E-02
- 690.0000 -9.244792 0.1212963E-02
- 692.0000 -9.148275 0.1199992E-02
- 694.0000 -9.052788 0.1187213E-02
- 696.0000 -8.958316 0.1174623E-02
- 698.0000 -8.864844 0.1162218E-02
- 700.0000 -8.772356 0.1149994E-02
+ 50.00000 21.52103 0.1595170
+ 52.00000 21.56943 0.1668695
+ 54.00000 21.62002 0.1743457
+ 56.00000 21.67285 0.1819523
+ 58.00000 21.72795 0.1896963
+ 60.00000 21.78537 0.1975850
+ 62.00000 21.84514 0.2056258
+ 64.00000 21.90733 0.2138265
+ 66.00000 21.97197 0.2221954
+ 68.00000 22.03911 0.2307409
+ 70.00000 22.10881 0.2394720
+ 72.00000 22.18113 0.2483979
+ 74.00000 22.25612 0.2575283
+ 76.00000 22.33384 0.2668734
+ 78.00000 22.41437 0.2764439
+ 80.00000 22.49776 0.2862509
+ 82.00000 22.58410 0.2963061
+ 84.00000 22.67345 0.3066220
+ 86.00000 22.76589 0.3172114
+ 88.00000 22.86150 0.3280879
+ 90.00000 22.96038 0.3392660
+ 92.00000 23.06262 0.3507607
+ 94.00000 23.16830 0.3625879
+ 96.00000 23.27753 0.3747646
+ 98.00000 23.39042 0.3873085
+ 100.0000 23.50707 0.4002384
+ 102.0000 23.62761 0.4135741
+ 104.0000 23.75215 0.4273368
+ 106.0000 23.88082 0.4415488
+ 108.0000 24.01376 0.4562338
+ 110.0000 24.15112 0.4714169
+ 112.0000 24.29303 0.4871248
+ 114.0000 24.43967 0.5033860
+ 116.0000 24.59119 0.5202306
+ 118.0000 24.74778 0.5376910
+ 120.0000 24.90961 0.5558015
+ 122.0000 25.07689 0.5745987
+ 124.0000 25.24982 0.5941219
+ 126.0000 25.42862 0.6144129
+ 128.0000 25.61352 0.6355167
+ 130.0000 25.80477 0.6574812
+ 132.0000 26.00263 0.6803581
+ 134.0000 26.20736 0.7042026
+ 136.0000 26.41927 0.7290744
+ 138.0000 26.63867 0.7550375
+ 140.0000 26.86587 0.7821607
+ 142.0000 27.10123 0.8105187
+ 144.0000 27.34513 0.8401916
+ 146.0000 27.59796 0.8712665
+ 148.0000 27.86014 0.9038373
+ 150.0000 28.13212 0.9380061
+ 152.0000 28.41438 0.9738835
+ 154.0000 28.70744 1.011590
+ 156.0000 29.01185 1.051256
+ 158.0000 29.32819 1.093025
+ 160.0000 29.65711 1.137052
+ 162.0000 29.99927 1.183508
+ 164.0000 30.35541 1.232580
+ 166.0000 30.72632 1.284473
+ 168.0000 31.11284 1.339411
+ 170.0000 31.51589 1.397642
+ 172.0000 31.93646 1.459440
+ 174.0000 32.37561 1.525108
+ 176.0000 32.83451 1.594979
+ 178.0000 33.31441 1.669426
+ 180.0000 33.81670 1.748862
+ 182.0000 34.34285 1.833748
+ 184.0000 34.89450 1.924598
+ 186.0000 35.47344 2.021991
+ 188.0000 36.08161 2.126574
+ 190.0000 36.72116 2.239078
+ 192.0000 37.39445 2.360328
+ 194.0000 38.10408 2.491258
+ 196.0000 38.85293 2.632933
+ 198.0000 39.64419 2.786563
+ 200.0000 40.48138 2.953537
+ 202.0000 41.36846 3.135447
+ 204.0000 42.30982 3.334132
+ 206.0000 43.31041 3.551719
+ 208.0000 44.37575 3.790683
+ 210.0000 45.51211 4.053914
+ 212.0000 46.72653 4.344808
+ 214.0000 48.02705 4.667370
+ 216.0000 49.42280 5.026353
+ 218.0000 50.92424 5.427430
+ 220.0000 52.54337 5.877417
+ 222.0000 54.29404 6.384554
+ 224.0000 56.19229 6.958881
+ 226.0000 58.25682 7.612719
+ 228.0000 60.50946 8.361322
+ 230.0000 62.97592 9.223738
+ 232.0000 65.68653 10.22400
+ 234.0000 68.67733 11.39273
+ 236.0000 71.99130 12.76943
+ 238.0000 75.67992 14.40565
+ 240.0000 79.80501 16.36962
+ 242.0000 84.44097 18.75300
+ 244.0000 89.67700 21.68086
+ 246.0000 95.61922 25.32691
+ 248.0000 102.3911 29.93688
+ 250.0000 110.1299 35.86527
+ 252.0000 118.9710 43.63361
+ 254.0000 129.0057 54.02312
+ 256.0000 140.1712 68.21886
+ 258.0000 151.9839 88.01489
+ 260.0000 162.9094 116.0227
+ 262.0000 168.9913 155.5193
+ 264.0000 161.4903 208.5716
+ 266.0000 125.8030 269.3929
+ 268.0000 51.76137 314.2202
+ 270.0000 -41.34966 311.9429
+ 272.0000 -112.3598 264.4277
+ 274.0000 -145.0721 203.6377
+ 276.0000 -150.9339 151.6834
+ 278.0000 -144.1920 113.2758
+ 280.0000 -133.0854 86.08072
+ 282.0000 -121.2878 66.84453
+ 284.0000 -110.2058 53.02859
+ 286.0000 -100.2706 42.89900
+ 288.0000 -91.52475 35.31178
+ 290.0000 -83.87047 29.51224
+ 292.0000 -77.17099 24.99589
+ 294.0000 -71.28999 21.41924
+ 296.0000 -66.10536 18.54379
+ 298.0000 -61.51244 16.20070
+ 300.0000 -57.42337 14.26819
+ 302.0000 -53.76490 12.65691
+ 304.0000 -50.47616 11.30025
+ 306.0000 -47.50643 10.14782
+ 308.0000 -44.81339 9.160994
+ 310.0000 -42.36153 8.309762
+ 312.0000 -40.12092 7.570573
+ 314.0000 -38.06623 6.924736
+ 316.0000 -36.17589 6.357274
+ 318.0000 -34.43146 5.856081
+ 320.0000 -32.81710 5.411285
+ 322.0000 -31.31912 5.014779
+ 324.0000 -29.92565 4.659853
+ 326.0000 -28.62636 4.340919
+ 328.0000 -27.41222 4.053294
+ 330.0000 -26.27528 3.793027
+ 332.0000 -25.20856 3.556771
+ 334.0000 -24.20587 3.341674
+ 336.0000 -23.26171 3.145291
+ 338.0000 -22.37121 2.965522
+ 340.0000 -21.53001 2.800552
+ 342.0000 -20.73419 2.648806
+ 344.0000 -19.98024 2.508912
+ 346.0000 -19.26501 2.379672
+ 348.0000 -18.58564 2.260036
+ 350.0000 -17.93955 2.149077
+ 352.0000 -17.32440 2.045980
+ 354.0000 -16.73806 1.950021
+ 356.0000 -16.17859 1.860560
+ 358.0000 -15.64422 1.777024
+ 360.0000 -15.13333 1.698903
+ 362.0000 -14.64444 1.625741
+ 364.0000 -14.17618 1.557129
+ 366.0000 -13.72729 1.492698
+ 368.0000 -13.29664 1.432116
+ 370.0000 -12.88314 1.375085
+ 372.0000 -12.48582 1.321333
+ 374.0000 -12.10376 1.270614
+ 376.0000 -11.73612 1.222706
+ 378.0000 -11.38212 1.177405
+ 380.0000 -11.04102 1.134526
+ 382.0000 -10.71216 1.093901
+ 384.0000 -10.39490 1.055374
+ 386.0000 -10.08865 1.018805
+ 388.0000 -9.792854 0.9840638
+ 390.0000 -9.507008 0.9510307
+ 392.0000 -9.230627 0.9195963
+ 394.0000 -8.963260 0.8896596
+ 396.0000 -8.704484 0.8611274
+ 398.0000 -8.453902 0.8339136
+ 400.0000 -8.211142 0.8079387
+ 402.0000 -7.975851 0.7831290
+ 404.0000 -7.747699 0.7594162
+ 406.0000 -7.526376 0.7367369
+ 408.0000 -7.311588 0.7150323
+ 410.0000 -7.103056 0.6942477
+ 412.0000 -6.900521 0.6743320
+ 414.0000 -6.703733 0.6552379
+ 416.0000 -6.512459 0.6369209
+ 418.0000 -6.326477 0.6193398
+ 420.0000 -6.145577 0.6024559
+ 422.0000 -5.969560 0.5862332
+ 424.0000 -5.798236 0.5706376
+ 426.0000 -5.631427 0.5556376
+ 428.0000 -5.468961 0.5412035
+ 430.0000 -5.310677 0.5273072
+ 432.0000 -5.156420 0.5139227
+ 434.0000 -5.006044 0.5010252
+ 436.0000 -4.859409 0.4885916
+ 438.0000 -4.716382 0.4766002
+ 440.0000 -4.576835 0.4650303
+ 442.0000 -4.440648 0.4538626
+ 444.0000 -4.307704 0.4430788
+ 446.0000 -4.177894 0.4326617
+ 448.0000 -4.051111 0.4225949
+ 450.0000 -3.927255 0.4128631
+ 452.0000 -3.806230 0.4034517
+ 454.0000 -3.687943 0.3943469
+ 456.0000 -3.572305 0.3855357
+ 458.0000 -3.459231 0.3770056
+ 460.0000 -3.348642 0.3687451
+ 462.0000 -3.240458 0.3607429
+ 464.0000 -3.134605 0.3529885
+ 466.0000 -3.031012 0.3454718
+ 468.0000 -2.929610 0.3381834
+ 470.0000 -2.830333 0.3311142
+ 472.0000 -2.733117 0.3242556
+ 474.0000 -2.637901 0.3175994
+ 476.0000 -2.544628 0.3111377
+ 478.0000 -2.453240 0.3048633
+ 480.0000 -2.363683 0.2987689
+ 482.0000 -2.275905 0.2928479
+ 484.0000 -2.189857 0.2870937
+ 486.0000 -2.105488 0.2815004
+ 488.0000 -2.022754 0.2760619
+ 490.0000 -1.941608 0.2707727
+ 492.0000 -1.862008 0.2656275
+ 494.0000 -1.783912 0.2606211
+ 496.0000 -1.707279 0.2557487
+ 498.0000 -1.632071 0.2510056
+ 500.0000 -1.558250 0.2463872
+ 502.0000 -1.485780 0.2418894
+ 504.0000 -1.414625 0.2375080
+ 506.0000 -1.344752 0.2332391
+ 508.0000 -1.276129 0.2290789
+ 510.0000 -1.208723 0.2250239
+ 512.0000 -1.142504 0.2210705
+ 514.0000 -1.077442 0.2172154
+ 516.0000 -1.013509 0.2134555
+ 518.0000 -0.9506771 0.2097876
+ 520.0000 -0.8889195 0.2062089
+ 522.0000 -0.8282101 0.2027165
+ 524.0000 -0.7685239 0.1993077
+ 526.0000 -0.7098365 0.1959800
+ 528.0000 -0.6521243 0.1927307
+ 530.0000 -0.5953644 0.1895575
+ 532.0000 -0.5395346 0.1864581
+ 534.0000 -0.4846134 0.1834302
+ 536.0000 -0.4305799 0.1804717
+ 538.0000 -0.3774140 0.1775805
+ 540.0000 -0.3250959 0.1747546
+ 542.0000 -0.2736067 0.1719921
+ 544.0000 -0.2229278 0.1692912
+ 546.0000 -0.1730412 0.1666500
+ 548.0000 -0.1239296 0.1640669
+ 550.0000 -0.7557588E-01 0.1615402
+ 552.0000 -0.2796367E-01 0.1590682
+ 554.0000 0.1892304E-01 0.1566495
+ 556.0000 0.6509980E-01 0.1542826
+ 558.0000 0.1105817 0.1519659
+ 560.0000 0.1553836 0.1496982
+ 562.0000 0.1995196 0.1474781
+ 564.0000 0.2430036 0.1453042
+ 566.0000 0.2858493 0.1431754
+ 568.0000 0.3280698 0.1410904
+ 570.0000 0.3696778 0.1390480
+ 572.0000 0.4106859 0.1370471
+ 574.0000 0.4511062 0.1350867
+ 576.0000 0.4909504 0.1331656
+ 578.0000 0.5302303 0.1312828
+ 580.0000 0.5689568 0.1294374
+ 582.0000 0.6071411 0.1276283
+ 584.0000 0.6447936 0.1258547
+ 586.0000 0.6819248 0.1241157
+ 588.0000 0.7185448 0.1224103
+ 590.0000 0.7546635 0.1207377
+ 592.0000 0.7902905 0.1190971
+ 594.0000 0.8254350 0.1174878
+ 596.0000 0.8601064 0.1159089
+ 598.0000 0.8943135 0.1143597
+ 600.0000 0.9280649 0.1128394
+ 602.0000 0.9613692 0.1113474
+ 604.0000 0.9942347 0.1098830
+ 606.0000 1.026669 0.1084456
+ 608.0000 1.058681 0.1070344
+ 610.0000 1.090278 0.1056489
+ 612.0000 1.121467 0.1042884
+ 614.0000 1.152256 0.1029524
+ 616.0000 1.182651 0.1016403
+ 618.0000 1.212661 0.1003516
+ 620.0000 1.242291 0.9908564E-01
+ 622.0000 1.271549 0.9784198E-01
+ 624.0000 1.300441 0.9662010E-01
+ 626.0000 1.328973 0.9541951E-01
+ 628.0000 1.357151 0.9423972E-01
+ 630.0000 1.384982 0.9308027E-01
+ 632.0000 1.412472 0.9194070E-01
+ 634.0000 1.439627 0.9082058E-01
+ 636.0000 1.466451 0.8971946E-01
+ 638.0000 1.492951 0.8863695E-01
+ 640.0000 1.519133 0.8757262E-01
+ 642.0000 1.545001 0.8652609E-01
+ 644.0000 1.570561 0.8549697E-01
+ 646.0000 1.595818 0.8448488E-01
+ 648.0000 1.620776 0.8348947E-01
+ 650.0000 1.645442 0.8251037E-01
+ 652.0000 1.669819 0.8154724E-01
+ 654.0000 1.693912 0.8059975E-01
+ 656.0000 1.717727 0.7966756E-01
+ 658.0000 1.741266 0.7875036E-01
+ 660.0000 1.764535 0.7784783E-01
+ 662.0000 1.787539 0.7695968E-01
+ 664.0000 1.810281 0.7608560E-01
+ 666.0000 1.832765 0.7522531E-01
+ 668.0000 1.854995 0.7437853E-01
+ 670.0000 1.876976 0.7354498E-01
+ 672.0000 1.898712 0.7272440E-01
+ 674.0000 1.920205 0.7191652E-01
+ 676.0000 1.941461 0.7112110E-01
+ 678.0000 1.962482 0.7033788E-01
+ 680.0000 1.983272 0.6956663E-01
+ 682.0000 2.003834 0.6880710E-01
+ 684.0000 2.024173 0.6805907E-01
+ 686.0000 2.044291 0.6732231E-01
+ 688.0000 2.064193 0.6659661E-01
+ 690.0000 2.083880 0.6588175E-01
+ 692.0000 2.103356 0.6517751E-01
+ 694.0000 2.122625 0.6448371E-01
+ 696.0000 2.141689 0.6380014E-01
+ 698.0000 2.160551 0.6312659E-01
+ 700.0000 2.179215 0.6246290E-01
diff --git a/tests/SetEpsTestCasesFromScratch/WFW/myEels20-seteps.f90 b/tests/SetEpsTestCasesFromScratch/WFW/myEels20-seteps.f90
index f41f409..21e9fa3 100755
--- a/tests/SetEpsTestCasesFromScratch/WFW/myEels20-seteps.f90
+++ b/tests/SetEpsTestCasesFromScratch/WFW/myEels20-seteps.f90
@@ -27,7 +27,7 @@ subroutine seteps(nLayer, nos, osc, epsinf, wn, name, eps, layers, mode)
double complex, dimension(nLayer), intent(out) :: eps
!f2py depend(nLayer) nos, epsinf, eps
- double complex :: nomi, deno, addeps
+ double complex :: nomi, deno, addeps, addlorentz
double precision :: wn2, b
integer j, k, l, m
logical debugFirstRun
@@ -41,6 +41,7 @@ subroutine seteps(nLayer, nos, osc, epsinf, wn, name, eps, layers, mode)
nomi = dcmplx(1.0d0, 0.0d0)
deno = dcmplx(1.0d0, 0.0d0)
addeps = dcmplx(0.0d0, 0.0d0)
+ addlorentz = dcmplx(0.0d0, 0.0d0)
wn2 = wn**2
do k = 1, m ! loop over all TO modes
j = j + 1
@@ -51,7 +52,7 @@ subroutine seteps(nLayer, nos, osc, epsinf, wn, name, eps, layers, mode)
deno =deno * (osc(1,j)**2 - wn * dcmplx( wn, osc(3,j) ) )
else if (osc(1,j) < 0.) then! Negative TO mode means: _Additive_ Lorentz oscillator with Q
- addeps = addeps + osc(1,j)**2 * osc(2,j) /dcmplx(osc(1,j)**2 - wn2, -1*wn*osc(3,j)) ! Sign of imaginary part changed (WFW)
+ addlorentz = addlorentz + osc(1,j)**2 * osc(2,j) /dcmplx(osc(1,j)**2 - wn2, -wn*abs(osc(1,j))*osc(3,j)) ! Sign of imaginary part changed (WFW)
else ! osc(1,j) = 0 -> it is a Drude term
addeps = addeps - dcmplx(osc(1,j+m)**2, wn*(osc(3,j)-osc(3,j+m))) /dcmplx(wn2, wn*osc(3,j))
@@ -59,7 +60,7 @@ subroutine seteps(nLayer, nos, osc, epsinf, wn, name, eps, layers, mode)
enddo
j = j+m ! we have already looped over the LO modes, therefore increase the index
- eps(l) = epsinf(l) * (nomi / deno + addeps) ! brackets changed by HHe 230915
+ eps(l) = epsinf(l) * (nomi / deno + addeps) + addlorentz ! brackets changed by HHe 230915
enddo
debugFirstRun = .false.
--
GitLab