From 6cc49d7ebdcadd6bfba426eac52cf678bcfa0294 Mon Sep 17 00:00:00 2001
From: kamischi <karl-michael.schindler@web.de>
Date: Wed, 26 Jun 2024 17:01:39 +0200
Subject: [PATCH] Reorder and modify eelsin and bosin files
more to do
---
tests/inputFiles/bosin05 | 8 ++++----
tests/inputFiles/eelsin001 | 13 +++++--------
tests/inputFiles/eelsin002 | 37 ++++++++++++-------------------------
tests/inputFiles/eelsin003 | 15 +++++++--------
tests/inputFiles/eelsin004 | 29 ++++++++++++++---------------
tests/inputFiles/eelsin005 | 16 +++++++---------
tests/inputFiles/eelsin006 | 16 +++++++++-------
tests/inputFiles/eelsin007 | 14 +++++++++-----
tests/inputFiles/eelsin008 | 15 ++++++++-------
tests/inputFiles/eelsin009 | 35 +++++++++++++++++++----------------
tests/inputFiles/eelsin010 | 20 +++++++++++---------
tests/inputFiles/eelsin011 | 28 +++++++++++++++-------------
tests/inputFiles/eelsin012 | 26 +++++++++++++-------------
tests/inputFiles/eelsin013 | 18 +++++++++++++-----
tests/inputFiles/eelsin014 | 22 +++++++++-------------
tests/inputFiles/eelsin015 | 26 +++++++++++---------------
16 files changed, 166 insertions(+), 172 deletions(-)
diff --git a/tests/inputFiles/bosin05 b/tests/inputFiles/bosin05
index 216da59..6803003 100644
--- a/tests/inputFiles/bosin05
+++ b/tests/inputFiles/bosin05
@@ -1,6 +1,6 @@
100.0 T
- 26.0 WIDTH
- 0.70 GAUSS
+ 20.0 WIDTH
+ 0.30 GAUSS
0.50 ASYM
--100.0 EMIN
-1000.0 EMAX
+-500.0 EMIN
+2000.0 EMAX
diff --git a/tests/inputFiles/eelsin001 b/tests/inputFiles/eelsin001
index 274641b..6b298da 100644
--- a/tests/inputFiles/eelsin001
+++ b/tests/inputFiles/eelsin001
@@ -5,12 +5,9 @@
50.0 WMIN
700.0 WMAX
2.0 DW
-WFW: MnO layer on metal
+MnO
- 2 1 N NPER
-MnO 99.400D+01 LAYER 1
- 4.95 1
- 269.0 16.000 5.00000E-02
-Platinum 100.000D+01 LAYER 2
- 8.90 1
-160000.0 -1 12.0000E-02
+ 1 1 No-layers NPER No-periodic
+MnO 100.0 name thickness
+ 4.95 1 epsinf No-Osc.
+ 269.0 16.0 0.05 wto, Q, lambda
diff --git a/tests/inputFiles/eelsin002 b/tests/inputFiles/eelsin002
index 2333ef9..533eb25 100644
--- a/tests/inputFiles/eelsin002
+++ b/tests/inputFiles/eelsin002
@@ -1,27 +1,14 @@
4.0 E0
60.0 THETA
- 3.5 PHIA
- 0.35 PHIB
- 2.0 WMIN
-1000.0 WMAX
- 1.0 DW
-WFW test: One layer
-
- 2 1 N NPER
-BaTiO3 0.08000D+02 LAYER 1
- 5.13 6
- 180.0 1.0000 1.65
- 271.0 1.0000 74.14
- 513.0 1.0000 33.13
- 187.86 1.0000 8.38
- 468.37 1.0000 6.37
- 724.64 1.0000 36.22
-Platinum 100.000D+01 LAYER 2
- 8.90 1
-160000.0 -1 12.0000E-02
-
-
-Pt 7.00000D+02 LAYER 2
- 1.0 2
- 0.00 1.0000 +1.60D+05
-180000.00 1.0000 0.0
+ 3.80 PHIA
+ 0.38 PHIB
+ 100.0 WMIN
+ 900.0 WMAX
+ 2.0 DW
+NiO
+compare to Schumann'22
+ 1 1 N NPER
+NiO 990.000 name thickness
+ 5.25 2 epsinf No-Osc.
+ 398.15 5.94714 0.034523 wto, Q, lambda
+ 562.01 0.092657 0.123802
diff --git a/tests/inputFiles/eelsin003 b/tests/inputFiles/eelsin003
index c3cdf3b..7e17a8b 100644
--- a/tests/inputFiles/eelsin003
+++ b/tests/inputFiles/eelsin003
@@ -5,11 +5,10 @@
50.0 WMIN
700.0 WMAX
2.0 DW
-WFW test: One layer
-
- 1 1 N NPER
-BaTiO3 0.70000D+02 LAYER 1
- 8.90 3
- 180.0 0.2300 1.00000E-02
- 295.0 6.5300 5.00000E-02
- 520.0 5.0300 28.0000E-02
+KMS: From material.json
+Goian'18
+ 1 1 No-layers NPER No-periodic
+BaO 1000.0 name thickness
+ 3.7 2 epsinf No-Osc.
+ 145.0 46.0 0.05 wto, Q, lambda
+ 422.0 56.0 0.05
diff --git a/tests/inputFiles/eelsin004 b/tests/inputFiles/eelsin004
index fbace4c..f658802 100644
--- a/tests/inputFiles/eelsin004
+++ b/tests/inputFiles/eelsin004
@@ -1,15 +1,14 @@
- 4.1 E0
- 60.1 THETA
- 1.81 PHIA
- 1.81 PHIB
- 50.1 WMIN
- 700.1 WMAX
- 2.1 DW
-WFW test: One layer
-
- 1 1 N NPER
-BaTiO3 0.71000D+02 LAYER 1
- 8.91 3
- 180.1 0.2310 1.10000E-02
- 295.1 6.5310 5.10000E-02
- 520.1 5.0310 28.1000E-02
+ 4.0 E0
+ 60.0 THETA
+ 1.8 PHIA
+ 1.8 PHIB
+ 50.0 WMIN
+ 700.0 WMAX
+ 2.0 DW
+KMS: From material.json
+Weaver'75, Seignac'72
+ 1 1 No-layers NPER No-periodic
+Pt 1000.0 name thickness
+ 1.0 2 epsinf No-Osc.
+ -185541.0 -16134.0 0.05 wto, Q, lambda
+ 1.0 1.0 0.05
diff --git a/tests/inputFiles/eelsin005 b/tests/inputFiles/eelsin005
index ca4cd31..df19d8f 100644
--- a/tests/inputFiles/eelsin005
+++ b/tests/inputFiles/eelsin005
@@ -5,12 +5,10 @@
50.0 WMIN
700.0 WMAX
2.0 DW
-WFW: MnO layer on metal
-
- 2 1 No-layers NPER No-periodic
-MnO 994.00D+00 LAYER 1 name thickness
- 4.95 1 epsinf No-Osc.
- 269.0 16.000 5.00000E-02 wto, Q, lambda
-Platinum 1000.00D+00 LAYER 2
- 8.90 1
-160000.0 -1 12.0000E-02
+KMS: From material.json
+Irani'71, Ehrenreich'62, Furtak'75
+ 1 1 No-layers NPER No-periodic
+Ag 1000.0 name thickness
+ 1.0 2 epsinf No-Osc.
+ -31460.0 -161.0 0.05 wto, Q, lambda
+ 1.0 1.0 0.05
diff --git a/tests/inputFiles/eelsin006 b/tests/inputFiles/eelsin006
index 1b1f15f..734fca5 100644
--- a/tests/inputFiles/eelsin006
+++ b/tests/inputFiles/eelsin006
@@ -5,10 +5,12 @@
50.0 WMIN
700.0 WMAX
2.0 DW
-KMS: From material.json
-Irani'71, Ehrenreich'62, Furtak'75
- 1 1 No-layers NPER No-periodic
-Ag 1000.00D+00 name thickness
- 1.0 2 epsinf No-Osc.
- -31460.0 -161.0 5.00000E-02 wto, Q, lambda
- 1.0 1.0 5.00000E-02
+WFW: MnO layer on metal
+
+ 2 1 No-layers NPER No-periodic
+MnO 994.0 LAYER 1 name thickness
+ 4.95 1 epsinf No-Osc.
+ 269.0 16.0 0.05 wto, Q, lambda
+Platinum 1000.0 LAYER 2
+ 8.90 1
+160000.0 -1.0 0.12
diff --git a/tests/inputFiles/eelsin007 b/tests/inputFiles/eelsin007
index fd5308b..23242a1 100644
--- a/tests/inputFiles/eelsin007
+++ b/tests/inputFiles/eelsin007
@@ -6,9 +6,13 @@
700.0 WMAX
2.0 DW
KMS: From material.json
-Goian'18
+BTO323
1 1 No-layers NPER No-periodic
-BaO 1000.00D+00 name thickness
- 3.7 2 epsinf No-Osc.
- 145.0 46.0 5.00000E-02 wto, Q, lambda
- 422.0 56.0 5.00000E-02
+BaTiO_3 1000.0 name thickness
+ 5.1295 6 epsinf No-Osc.
+ 177.4 1.9262 0.05 wto, Q, lambda
+ 272.84 93.3091 0.05
+ 506.379 42.60 0.05
+ 184.003 9.718 0.05
+ 470.972 14.31 0.05
+ 739.651 33.044 0.05
diff --git a/tests/inputFiles/eelsin008 b/tests/inputFiles/eelsin008
index 035718f..52892fd 100644
--- a/tests/inputFiles/eelsin008
+++ b/tests/inputFiles/eelsin008
@@ -5,10 +5,11 @@
50.0 WMIN
700.0 WMAX
2.0 DW
-KMS: From material.json
-Goian'18
- 1 1 No-layers NPER No-periodic
-BaO_2 1000.00D+00 name thickness
- 3.7 2 epsinf No-Osc.
- 145.0 46.0 5.00000E-02 wto, Q, lambda
- 414.0 56.0 5.00000E-02
+WFW test: One layer
+
+ 1 1 N NPER
+BaTiO3 70.0 LAYER 1
+ 8.90 3 epsinf No-Osc.
+ 180.0 0.23 0.01 wto, Q, lambda
+ 295.0 6.53 0.05
+ 520.0 5.03 0.28
diff --git a/tests/inputFiles/eelsin009 b/tests/inputFiles/eelsin009
index f8d2017..c6d8673 100644
--- a/tests/inputFiles/eelsin009
+++ b/tests/inputFiles/eelsin009
@@ -1,18 +1,21 @@
4.0 E0
60.0 THETA
- 1.8 PHIA
- 1.8 PHIB
- 50.0 WMIN
- 700.0 WMAX
- 2.0 DW
-KMS: From material.json
-BTO323
- 1 1 No-layers NPER No-periodic
-BaTiO_3 1000.00D+00 name thickness
- 5.1295 6 epsinf No-Osc.
- 177.4 1.9262 5.00000E-02 wto, Q, lambda
- 272.84 93.3091 5.00000E-02
- 506.379 42.60 5.00000E-02
- 184.003 9.718 5.00000E-02
- 470.972 14.31 5.00000E-02
- 739.651 33.044 5.00000E-02
+ 3.5 PHIA
+ 0.35 PHIB
+ 2.0 WMIN
+1000.0 WMAX
+ 1.0 DW
+WFW test: One layer
+
+ 2 1 N NPER
+BaTiO3 8.0 LAYER 1
+ 5.13 6
+ 180.0 1.0 1.65
+ 271.0 1.0 74.14
+ 513.0 1.0 33.13
+ 187.86 1.0 8.38
+ 468.37 1.0 6.37
+ 724.64 1.0 36.22
+Platinum 1000.0 LAYER 2
+ 8.90 1
+160000.0 -1.0 0.12
diff --git a/tests/inputFiles/eelsin010 b/tests/inputFiles/eelsin010
index 420d3c6..9a432ae 100644
--- a/tests/inputFiles/eelsin010
+++ b/tests/inputFiles/eelsin010
@@ -6,13 +6,15 @@
700.0 WMAX
2.0 DW
KMS: From material.json
-Fit to J0B04
+Farbe der Ruthenate
1 1 No-layers NPER No-periodic
-SrTiO_3 1000.00D+00 name thickness
- 5.2 6 epsinf No-Osc.
- 60.0 80.0 5.00000E-02 wto, Q, lambda
- 171.8 30.0 5.00000E-02
- 531.97 17.706 5.00000E-02
- 170.9 53.6 5.00000E-02
- 481.0 13.3 5.00000E-02
- 814.92 36.497 5.00000E-02
+SRO-214 1000.0 name thickness
+ 5.5 8 epsinf No-Osc.
+ 195.0 9.2 0.05 wto, Q, lambda
+ 369.0 18.0 0.05
+ 412.5 17.1 0.05
+ 466.0 18.5 0.05
+ 250.0 9.2 0.05
+ 400.0 18.0 0.05
+ 450.0 17.1 0.05
+ 600.0 18.0 0.05
diff --git a/tests/inputFiles/eelsin011 b/tests/inputFiles/eelsin011
index f6641b2..e64a71f 100644
--- a/tests/inputFiles/eelsin011
+++ b/tests/inputFiles/eelsin011
@@ -6,17 +6,19 @@
700.0 WMAX
2.0 DW
KMS: From material.json
-Jandl'91
+Massa'97
1 1 No-layers NPER No-periodic
-KTaO_3 1000.00D+00 name thickness
- 5.12878 10 epsinf No-Osc.
- 91.0 6.5 5.00000E-02 wto, Q, lambda
- 201.0 6.0 5.00000E-02
- 548.0 13.0 5.00000E-02
- 710.0 130.0 5.00000E-02
- 752.0 20.0 5.00000E-02
- 186.0 6.0 5.00000E-02
- 423.0 6.5 5.00000E-02
- 701.0 130.0 5.00000E-02
- 750.0 20.0 5.00000E-02
- 821.0 13.0 5.00000E-02
+NdNiO3 77K 1000.0 name thickness
+ 5.12878 12 epsinf No-Osc.
+ 398.0 428.8 0.05 wto, Q, lambda
+ 430.4 435.8 0.05
+ 470.0 542.1 0.05
+ 561.1 567.8 0.05
+ 729.9 1108.5 0.05
+ 0.0 146.6 0.05
+ 149.2 887.6 0.05
+ 31.5 28.0 0.05
+ 254.5 290.8 0.05
+ 107.3 110.8 0.05
+ 1155.6 1504.6 0.05
+ 1705.3 2087.1 0.05
diff --git a/tests/inputFiles/eelsin012 b/tests/inputFiles/eelsin012
index 0ca620e..9973e15 100644
--- a/tests/inputFiles/eelsin012
+++ b/tests/inputFiles/eelsin012
@@ -6,17 +6,17 @@
700.0 WMAX
2.0 DW
KMS: From material.json
-Willet-Gies'14
+Jandl'91
1 1 No-layers NPER No-periodic
-LaAlO_3 1000.00D+00 name thickness
- 4.12 10 epsinf No-Osc.
- 188.0 0.4 5.00000E-02 wto, Q, lambda
- 427.0 5.0 5.00000E-02
- 495.72 3.8 5.00000E-02
- 650.79 22.5 5.00000E-02
- 708.2 55.3 5.00000E-02
- 276.4 3.7 5.00000E-02
- 596.1 7.2 5.00000E-02
- 495.5 3.8 5.00000E-02
- 744.1 12.1 5.00000E-02
- 702.2 66.0 5.00000E-02
+KTaO_3 1000.0 name thickness
+ 5.12878 10 epsinf No-Osc.
+ 91.0 6.5 0.05 wto, Q, lambda
+ 201.0 6.0 0.05
+ 548.0 13.0 0.05
+ 710.0 130.0 0.05
+ 752.0 20.0 0.05
+ 186.0 6.0 0.05
+ 423.0 6.5 0.05
+ 701.0 130.0 0.05
+ 750.0 20.0 0.05
+ 821.0 13.0 0.05
diff --git a/tests/inputFiles/eelsin013 b/tests/inputFiles/eelsin013
index c0f6c3c..df72ca5 100644
--- a/tests/inputFiles/eelsin013
+++ b/tests/inputFiles/eelsin013
@@ -6,9 +6,17 @@
700.0 WMAX
2.0 DW
KMS: From material.json
-Schumann'22
+Willet-Gies'14
1 1 No-layers NPER No-periodic
-NiO 1000.00D+00 name thickness
- 5.25 2 epsinf No-Osc.
- 393.7 10.8 5.00000E-02 wto, Q, lambda
- 584.7 10.8 5.00000E-02
+LaAlO_3 1000.00 name thickness
+ 4.12 10 epsinf No-Osc.
+ 188.0 0.4 0.05 wto, Q, lambda
+ 427.0 5.0 0.05
+ 495.72 3.8 0.05
+ 650.79 22.5 0.05
+ 708.2 55.3 0.05
+ 276.4 3.7 0.05
+ 596.1 7.2 0.05
+ 495.5 3.8 0.05
+ 744.1 12.1 0.05
+ 702.2 66.0 0.05
diff --git a/tests/inputFiles/eelsin014 b/tests/inputFiles/eelsin014
index 30539da..9caae3b 100644
--- a/tests/inputFiles/eelsin014
+++ b/tests/inputFiles/eelsin014
@@ -6,17 +6,13 @@
700.0 WMAX
2.0 DW
KMS: From material.json
-Massa'97
+Crandles'99 2e18 300K
1 1 No-layers NPER No-periodic
-NdNiO_3 1000.00D+00 name thickness
- 5.12878 10 epsinf No-Osc.
- 1317.9 1500.5 5.00000E-02 wto, Q, lambda
- 0.0 1170.0 5.00000E-02
- 181.8 185.1 5.00000E-02
- 209.9 321.8 5.00000E-02
- 330.5 391.5 5.00000E-02
- 1618.5 3967.7 5.00000E-02
- 900.3 689.4 5.00000E-02
- 12.8 5.0 5.00000E-02
- 829.7 41.9 5.00000E-02
- 49.3 85.9 5.00000E-02
+SrTiO_3 1000.00 name thickness
+ 5.14 6 epsinf No-Osc.
+ 93.9831 25.8272 0.05 wto, Q, lambda
+ 173.175 8.42197 0.05
+ 543.346 17.5385 0.05
+ 169.788 4.9 0.05
+ 474.634 7.07977 0.05
+ 795.385 28.3571 0.05
diff --git a/tests/inputFiles/eelsin015 b/tests/inputFiles/eelsin015
index d98a375..e35b25a 100644
--- a/tests/inputFiles/eelsin015
+++ b/tests/inputFiles/eelsin015
@@ -6,19 +6,15 @@
700.0 WMAX
2.0 DW
KMS: From material.json
-Massa'97
+STO_DEG1 not working!?
1 1 No-layers NPER No-periodic
-NdNiO3 77K 1000.00D+00 name thickness
- 5.12878 12 epsinf No-Osc.
- 398.0 428.8 5.00000E-02 wto, Q, lambda
- 430.4 435.8 5.00000E-02
- 470.0 542.1 5.00000E-02
- 561.1 567.8 5.00000E-02
- 729.9 1108.5 5.00000E-02
- 0.0 146.6 5.00000E-02
- 149.2 887.6 5.00000E-02
- 31.5 28.0 5.00000E-02
- 254.5 290.8 5.00000E-02
- 107.3 110.8 5.00000E-02
- 1155.6 1504.6 5.00000E-02
- 1705.3 2087.1 5.00000E-02
+SrTiO_3 1000.00 name thickness
+ 5.14 8 epsinf No-Osc.
+ 98.0 62.488 0.05 wto, Q, lambda
+ 174.367 9.89216 0.05
+ 548.821 25.0 0.05
+ 0.0 -100.0 0.05
+ 171.679 6.11124 0.05
+ 475.624 29.9772 0.05
+ 817.369 60.0 0.05
+ 200.0 0.0 0.05
--
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