diff --git a/tests/inputFiles/eelsbosin001.yaml b/tests/inputFiles/eelsbosin001.yaml index 134e64cb3c9fe1049e3189ea55dacf39668f003a..ad3fea86cceb7994d8872b08719277346e4fd65e 100644 --- a/tests/inputFiles/eelsbosin001.yaml +++ b/tests/inputFiles/eelsbosin001.yaml @@ -5,13 +5,13 @@ PhiB: 1.8 wMin: 50.0 wMax: 700.0 dw: 2.0 -Comment1: "MnO layer on Pt" +Comment1: "MnO" Comment2: "Compare with eelsin001" NumberOfPeriodicLayers: 1 Layers: - { Name: "MnO", - thickness: 994.0, + thickness: 100.0, epsInfinity: 4.95, Terms: [ diff --git a/tests/inputFiles/eelsbosin002.yaml b/tests/inputFiles/eelsbosin002.yaml index e8ce26f83f8ab2aa082d9336d6d3996498fa9fc1..89df17d9ba11d614ac98558d36933dac6a83f212 100644 --- a/tests/inputFiles/eelsbosin002.yaml +++ b/tests/inputFiles/eelsbosin002.yaml @@ -5,30 +5,25 @@ PhiB: 1.8 wMin: 50.0 wMax: 700.0 dw: 2.0 -Comment1: "MnO" -Comment2: "Compare with eelsin006" +Comment1: "BaO" +Comment2: "Compare with eelsin003" NumberOfPeriodicLayers: 1 Layers: -- { Name: "MnO", - thickness: 994.0, - epsInfinity: 4.95, - Terms: - [ - {Type: Lorentz, - wTO: 269.0, - Qk: 16.000, - yk: 0.05} - ] - } -- { Name: "Platinum", +- { Name: "BaO", thickness: 1000.0, - epsInfinity: 8.90, + epsInfinity: 3.7, Terms: [ - {Type: Drude, - wP: 62193.5, - y: 22264.9} + {Type: Lorentz, + wTO: 145.0, + Qk: 46.0, + yk: 7.25} + , + {Type: Lorentz, + wTO: 422.0, + Qk: 56.0, + yk: 21.1} ] } diff --git a/tests/inputFiles/eelsbosin002a.yaml b/tests/inputFiles/eelsbosin002a.yaml new file mode 100644 index 0000000000000000000000000000000000000000..825171ce7615a20b13e4b6737f66f169fe773aac --- /dev/null +++ b/tests/inputFiles/eelsbosin002a.yaml @@ -0,0 +1,33 @@ +E0: 4.0 +Theta: 60.0 +PhiA: 1.8 +PhiB: 1.8 +wMin: 50.0 +wMax: 700.0 +dw: 2.0 +Comment1: "BaO" +Comment2: "Compare with eelsin003 and materials20.json" +NumberOfPeriodicLayers: 1 + +Layers: +- { Name: "BaO", + thickness: 1000.0, + epsInfinity: 3.7, + Terms: + [ + {Type: Kurosawa, + wTO: 145.0, + yTO: 46.0, + wLO: 422.0, + yLO: 56.0} + ] + } + +ImageCharge: False + +T: 300.0 +Width: 57.0 +Gauss: 0.5 +Asym: 0.3 +EMin: -500.0 +EMax: 750.0 diff --git a/tests/inputFiles/eelsbosin002b.yaml b/tests/inputFiles/eelsbosin002b.yaml new file mode 100644 index 0000000000000000000000000000000000000000..c2109d22e730dda7c51f9c5fc7e58bc42b1982c0 --- /dev/null +++ b/tests/inputFiles/eelsbosin002b.yaml @@ -0,0 +1,33 @@ +E0: 4.0 +Theta: 60.0 +PhiA: 1.8 +PhiB: 1.8 +wMin: 50.0 +wMax: 700.0 +dw: 2.0 +Comment1: "BaO_2" +Comment2: "Compare with eelsin003 and materials20.json" +NumberOfPeriodicLayers: 1 + +Layers: +- { Name: "BaO", + thickness: 1000.0, + epsInfinity: 3.7, + Terms: + [ + {Type: Kurosawa, + wTO: 145.0, + yTO: 46.0, + wLO: 414.0, + yLO: 56.0} + ] + } + +ImageCharge: False + +T: 300.0 +Width: 57.0 +Gauss: 0.5 +Asym: 0.3 +EMin: -500.0 +EMax: 750.0 diff --git a/tests/inputFiles/eelsbosin003.yaml b/tests/inputFiles/eelsbosin003.yaml new file mode 100644 index 0000000000000000000000000000000000000000..5a1fdaa27df83d6243b1feadcedf3cc6e308550a --- /dev/null +++ b/tests/inputFiles/eelsbosin003.yaml @@ -0,0 +1,37 @@ +E0: 4.0 +Theta: 60.0 +PhiA: 1.8 +PhiB: 1.8 +wMin: 50.0 +wMax: 700.0 +dw: 2.0 +Comment1: "NiO" +Comment2: "Compare to eelsin002 and eelsin025" +NumberOfPeriodicLayers: 1 + +Layers: +- { Name: "NiO", + thickness: 990.0, + epsInfinity: 5.25, + Terms: + [ + {Type: Lorentz, + wTO: 398.15, + Qk: 5.94714, + yk: 13.745} + , + {Type: Lorentz, + wTO: 562.01, + Qk: 0.092657, + yk: 69.57796} + ] + } + +ImageCharge: False + +T: 300.0 +Width: 57.0 +Gauss: 0.5 +Asym: 0.3 +EMin: -500.0 +EMax: 750.0 diff --git a/tests/inputFiles/eelsbosin003a.yaml b/tests/inputFiles/eelsbosin003a.yaml new file mode 100644 index 0000000000000000000000000000000000000000..cb662d0724b84c7385f372c756045b65e7c5e10a --- /dev/null +++ b/tests/inputFiles/eelsbosin003a.yaml @@ -0,0 +1,33 @@ +E0: 4.0 +Theta: 60.0 +PhiA: 1.8 +PhiB: 1.8 +wMin: 50.0 +wMax: 700.0 +dw: 2.0 +Comment1: "NiO" +Comment2: "Compare to materials20.json" +NumberOfPeriodicLayers: 1 + +Layers: +- { Name: "NiO", + thickness: 990.0, + epsInfinity: 5.25, + Terms: + [ + {Type: Kurosawa, + wTO: 393.7, + yTO: 10.8, + wLO: 584.7, + yLO: 10.8} + ] + } + +ImageCharge: False + +T: 300.0 +Width: 57.0 +Gauss: 0.5 +Asym: 0.3 +EMin: -500.0 +EMax: 750.0 diff --git a/tests/inputFiles/eelsbosin004.yaml b/tests/inputFiles/eelsbosin004.yaml new file mode 100644 index 0000000000000000000000000000000000000000..eb67d79628b0eafc9926f7090a792a7d798861a3 --- /dev/null +++ b/tests/inputFiles/eelsbosin004.yaml @@ -0,0 +1,57 @@ +E0: 4.0 +Theta: 60.0 +PhiA: 1.8 +PhiB: 1.8 +wMin: 50.0 +wMax: 700.0 +dw: 2.0 +Comment1: "STO 80 K" +Comment2: "Compare to eelsin018" +NumberOfPeriodicLayers: 1 + +Layers: +- { Name: "STO", + thickness: 1000.0, + epsInfinity: 5.16, + Terms: + [ + {Type: Lorentz, + wTO: 50.5, + Qk: 16.0, + yk: 2.525} + , + {Type: Lorentz, + wTO: 174.2, + Qk: 6.0, + yk: 8.71} + , + {Type: Lorentz, + wTO: 548.9, + Qk: 10.0, + yk: 27.445} + , + {Type: Lorentz, + wTO: 171.56, + Qk: 4.8, + yk: 8.578} + , + {Type: Lorentz, + wTO: 481.0, + Qk: 5.35, + yk: 24.05} + , + {Type: Lorentz, + wTO: 805.7, + Qk: 29.0, + yk: 40.285} + ] + } + +ImageCharge: False + +T: 300.0 +Width: 57.0 +Gauss: 0.5 +Asym: 0.3 +EMin: -500.0 +EMax: 750.0 diff --git a/tests/inputFiles/eelsbosin004a.yaml b/tests/inputFiles/eelsbosin004a.yaml new file mode 100644 index 0000000000000000000000000000000000000000..c15618175b9fc667be6905f165c698cf56b0735b --- /dev/null +++ b/tests/inputFiles/eelsbosin004a.yaml @@ -0,0 +1,57 @@ +E0: 4.0 +Theta: 60.0 +PhiA: 1.8 +PhiB: 1.8 +wMin: 50.0 +wMax: 700.0 +dw: 2.0 +Comment1: "STO 300 K" +Comment2: "Compare to eelsin019" +NumberOfPeriodicLayers: 1 + +Layers: +- { Name: "STO", + thickness: 1000.0, + epsInfinity: 5.14, + Terms: + [ + {Type: Lorentz, + wTO: 93.9831, + Qk: 25.8272, + yk: 4.699155} + , + {Type: Lorentz, + wTO: 173.175, + Qk: 8.42197, + yk: 8.65875} + , + {Type: Lorentz, + wTO: 543.346, + Qk: 17.5385, + yk: 27.1673} + , + {Type: Lorentz, + wTO: 169.788, + Qk: 4.9, + yk: 8.4894} + , + {Type: Lorentz, + wTO: 474.634, + Qk: 7.07977, + yk: 23.7317} + , + {Type: Lorentz, + wTO: 795.385, + Qk: 28.3571, + yk: 39.76925} + ] + } + +ImageCharge: False + +T: 300.0 +Width: 57.0 +Gauss: 0.5 +Asym: 0.3 +EMin: -500.0 +EMax: 750.0 diff --git a/tests/inputFiles/eelsbosin004b.yaml b/tests/inputFiles/eelsbosin004b.yaml new file mode 100644 index 0000000000000000000000000000000000000000..79a1f316c932b1bc103b20f9da36a2e5244187db --- /dev/null +++ b/tests/inputFiles/eelsbosin004b.yaml @@ -0,0 +1,45 @@ +E0: 4.0 +Theta: 60.0 +PhiA: 1.8 +PhiB: 1.8 +wMin: 50.0 +wMax: 700.0 +dw: 2.0 +Comment1: "STO 300 K" +Comment2: "Compare to eelsin019" +NumberOfPeriodicLayers: 1 + +Layers: +- { Name: "STO", + thickness: 1000.0, + epsInfinity: 5.14, + Terms: + [ + {Type: Kurosawa, + wTO: 93.9831, + yTO: 25.8272, + wLO: 169.788, + yLO: 4.9} + , + {Type: Kurosawa, + wTO: 173.175, + yTO: 8.42197, + wLO: 474.634, + yLO: 7.07977} + , + {Type: Kurosawa, + wTO: 543.346, + yTO: 17.5385, + wLO: 795.385, + yLO: 28.3571} + ] + } + +ImageCharge: False + +T: 300.0 +Width: 57.0 +Gauss: 0.5 +Asym: 0.3 +EMin: -500.0 +EMax: 750.0