From d73d774d92363c27483c4eac9109d67eaefa02e7 Mon Sep 17 00:00:00 2001 From: michael <michael@7e267752-d5d8-41c0-93cd-a7fa012602f9> Date: Fri, 11 Jul 2014 16:02:33 +0000 Subject: [PATCH] add data and tests git-svn-id: svn+ssh://michael-ep3.physik.uni-halle.de/Users/Shared/EELS2@10 7e267752-d5d8-41c0-93cd-a7fa012602f9 --- data/BOSOU | 853 ++++++++++++++++++++++++++++++++++++++++++++++++ data/EELSOU | 328 +++++++++++++++++++ tests/BOSIN | 6 + tests/BOSIN01 | 6 + tests/BOSOU0101 | 853 ++++++++++++++++++++++++++++++++++++++++++++++++ tests/EELSIN | 27 ++ tests/EELSIN01 | 16 + tests/EELSIN02 | 27 ++ tests/EELSIN03 | 15 + tests/EELSOU | 328 +++++++++++++++++++ tests/EELSOU01 | 328 +++++++++++++++++++ tests/bosin | 6 + tests/bosou | 853 ++++++++++++++++++++++++++++++++++++++++++++++++ tests/eelsin | 16 + tests/eelsou | 328 +++++++++++++++++++ 15 files changed, 3990 insertions(+) create mode 100644 data/BOSOU create mode 100644 data/EELSOU create mode 100644 tests/BOSIN create mode 100644 tests/BOSIN01 create mode 100644 tests/BOSOU0101 create mode 100644 tests/EELSIN create mode 100644 tests/EELSIN01 create mode 100644 tests/EELSIN02 create mode 100644 tests/EELSIN03 create mode 100644 tests/EELSOU create mode 100644 tests/EELSOU01 create mode 100644 tests/bosin create mode 100644 tests/bosou create mode 100644 tests/eelsin create mode 100644 tests/eelsou diff --git a/data/BOSOU b/data/BOSOU new file mode 100644 index 0000000..1a1bf24 --- /dev/null +++ b/data/BOSOU @@ -0,0 +1,853 @@ +E0 = 4.00 THETA = 60.0 PHIA = 1.80 PHIB = 1.80 T = 300.0 GAUSS = 0.50 +WFW: MnO layer on metal + -0.5000000E+03 0.3452802E-03 + -0.4980000E+03 0.3096076E-03 + -0.4960000E+03 0.2765063E-03 + -0.4940000E+03 0.2464998E-03 + -0.4920000E+03 0.2198017E-03 + -0.4900000E+03 0.1963860E-03 + -0.4880000E+03 0.1760618E-03 + -0.4860000E+03 0.1585386E-03 + -0.4840000E+03 0.1434813E-03 + -0.4820000E+03 0.1305497E-03 + -0.4800000E+03 0.1194232E-03 + -0.4780000E+03 0.1098147E-03 + -0.4760000E+03 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/dev/null +++ b/tests/BOSIN01 @@ -0,0 +1,6 @@ + 300.0 t + 25.0 width + 0.5 gauss + 0.3 asym +-500.0 emin +1200.0 emax diff --git a/tests/BOSOU0101 b/tests/BOSOU0101 new file mode 100644 index 0000000..1a1bf24 --- /dev/null +++ b/tests/BOSOU0101 @@ -0,0 +1,853 @@ +E0 = 4.00 THETA = 60.0 PHIA = 1.80 PHIB = 1.80 T = 300.0 GAUSS = 0.50 +WFW: MnO layer on metal + -0.5000000E+03 0.3452802E-03 + -0.4980000E+03 0.3096076E-03 + -0.4960000E+03 0.2765063E-03 + -0.4940000E+03 0.2464998E-03 + -0.4920000E+03 0.2198017E-03 + -0.4900000E+03 0.1963860E-03 + -0.4880000E+03 0.1760618E-03 + -0.4860000E+03 0.1585386E-03 + -0.4840000E+03 0.1434813E-03 + -0.4820000E+03 0.1305497E-03 + -0.4800000E+03 0.1194232E-03 + -0.4780000E+03 0.1098147E-03 + -0.4760000E+03 0.1014781E-03 + -0.4740000E+03 0.9420525E-04 + -0.4720000E+03 0.8782481E-04 + -0.4700000E+03 0.8219526E-04 + -0.4680000E+03 0.7720109E-04 + -0.4660000E+03 0.7274765E-04 + -0.4640000E+03 0.6875656E-04 + -0.4620000E+03 0.6516136E-04 + -0.4600000E+03 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+160000.0 -1 12.0000E-02 ABTI0014 + + +Pt 7.00000D+02 LAYER 2 ABTI0020 + 1.0 2 + 0.00 1.0000 +1.60D+05 +180000.00 1.0000 0.0 diff --git a/tests/EELSIN01 b/tests/EELSIN01 new file mode 100644 index 0000000..2c9c77f --- /dev/null +++ b/tests/EELSIN01 @@ -0,0 +1,16 @@ + 4.0 E0 ABTI0002 + 60.0 THETA ABTI0003 + 1.8 PHIA ABTI0004 + 1.8 PHIB ABTI0005 + 50.0 WMIN ABTI0006 + 700.0 WMAX ABTI0007 + 2.0 DW ABTI0008 +WFW: MnO layer on metal + ABTI0010 + 2 1 N NPER ABTI0011 +MnO 99.400D+01 LAYER 1 ABTI0012 + 4.95 1 ABTI0013 + 269.0 16.000 5.00000E-02 ABTI0014 +Platinum 100.000D+01 LAYER 2 ABTI0012 + 8.90 1 ABTI0013 +160000.0 -1 12.0000E-02 ABTI0014 diff --git a/tests/EELSIN02 b/tests/EELSIN02 new file mode 100644 index 0000000..d096c6b --- /dev/null +++ b/tests/EELSIN02 @@ -0,0 +1,27 @@ + 4.0 E0 ABTI0002 + 60.0 THETA ABTI0003 + 3.5 PHIA ABTI0004 + 0.35 PHIB ABTI0005 + 2.0 WMIN ABTI0006 +1000.0 WMAX ABTI0007 + 1.0 DW ABTI0008 +WFW test: One layer + ABTI0010 + 2 1 N NPER ABTI0011 +BaTiO3 0.08000D+02 LAYER 1 ABTI0012 + 5.13 6 ABTI0013 + 180.0 1.0000 1.65 ABTI0014 + 271.0 1.0000 74.14 ABTI0015 + 513.0 1.0000 33.13 ABTI0016 + 187.86 1.0000 8.38 ABTI0017 + 468.37 1.0000 6.37 ABTI0018 + 724.64 1.0000 36.22 ABTI0019 +Platinum 100.000D+01 LAYER 2 ABTI0012 + 8.90 1 ABTI0013 +160000.0 -1 12.0000E-02 ABTI0014 + + +Pt 7.00000D+02 LAYER 2 ABTI0020 + 1.0 2 + 0.00 1.0000 +1.60D+05 +180000.00 1.0000 0.0 diff --git a/tests/EELSIN03 b/tests/EELSIN03 new file mode 100644 index 0000000..7a76a45 --- /dev/null +++ b/tests/EELSIN03 @@ -0,0 +1,15 @@ + 4.0 E0 ABTI0002 + 60.0 THETA ABTI0003 + 1.8 PHIA ABTI0004 + 1.8 PHIB ABTI0005 + 50.0 WMIN ABTI0006 + 700.0 WMAX ABTI0007 + 2.0 DW ABTI0008 +WFW test: One layer + ABTI0010 + 1 1 N NPER ABTI0011 +BaTiO3 0.70000D+02 LAYER 1 ABTI0012 + 8.90 3 ABTI0013 + 180.0 0.2300 1.00000E-02 ABTI0014 + 295.0 6.5300 5.00000E-02 ABTI0014 + 520.0 5.0300 28.0000E-02 ABTI0014 diff --git a/tests/EELSOU b/tests/EELSOU new file mode 100644 index 0000000..23e5028 --- /dev/null +++ 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a/tests/EELSOU01 b/tests/EELSOU01 new file mode 100644 index 0000000..23e5028 --- /dev/null +++ b/tests/EELSOU01 @@ -0,0 +1,328 @@ +E0 = 4.00 THETA = 60.0 PHIA = 1.80 PHIB = 1.80 +WFW: MnO layer on metal + 0.5000000E+02 0.3941008E-04 + 0.5200000E+02 0.3978564E-04 + 0.5400000E+02 0.4013988E-04 + 0.5600000E+02 0.4047467E-04 + 0.5800000E+02 0.4079174E-04 + 0.6000000E+02 0.4109263E-04 + 0.6200000E+02 0.4137881E-04 + 0.6400000E+02 0.4108543E-04 + 0.6600000E+02 0.4191212E-04 + 0.6800000E+02 0.4216160E-04 + 0.7000000E+02 0.4240102E-04 + 0.7200000E+02 0.4263132E-04 + 0.7400000E+02 0.4285339E-04 + 0.7600000E+02 0.4306802E-04 + 0.7800000E+02 0.4327598E-04 + 0.8000000E+02 0.4347794E-04 + 0.8200000E+02 0.4367455E-04 + 0.8400000E+02 0.4386642E-04 + 0.8600000E+02 0.4405408E-04 + 0.8800000E+02 0.4423806E-04 + 0.9000000E+02 0.4441884E-04 + 0.9200000E+02 0.4459685E-04 + 0.9400000E+02 0.4477229E-04 + 0.9600000E+02 0.4494627E-04 + 0.9800000E+02 0.4511842E-04 + 0.1000000E+03 0.4528933E-04 + 0.1020000E+03 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