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- 4181 discussions
Hello,
i read in the FEFF 8.4 manual, that the 6 modules are executed in ascending
order.
But now i'm confused concerning the modules 3 till 5. In module 3 the full
multiple
scattering is calculated. But only after this module the path enumeration
(module 4)
and the scattering amplitudes (module 5) are computed. I thought the path
enumeration
and the scattering amplitudes are required for calculation of the full
multiple
scattering? Why are these quantities calculated after the fms module? In my
opinion
this doesn't make sense.
Another question affects the paper (page 9 and 10) of Zabinsky et al
(attached). In
the section "path enumeration" (respectively one side bevor) he introduced
the quantity
r_tot = total path length and R = r_tot/2 = effective path length. My
question is, what
is the meaning of the effective path length? In my opinion r_tot is the way
and the way
back? And R < r_tot is the path length without negligible contributions
(scattering
amplitude,...), is this right?
The next question concerns the XANES-Card. What is the meaning of k
respectively xkmax?
In my opinion k is the wavenumber (of the photo electron wave?) which occurs
in the
xmu.dat in the third column, isn't it?
Many thanks for your help!
best regards,
Eckhard
2
1
hello,
I have a amd 64 bits computer running opensuse 11. I tried to install
ifeffit on it and it was very
complicated. After some modifications on the makefile of PGPlot (as showed
here: http://proteus.pha.jhu.edu/~dks/Unixtips/index.html) and during the
horae install
(http://cars9.uchicago.edu/pipermail/ifeffit/2006-September/002621.html and
http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2008-January/003481.html)
After those changes the artemis is working well, but athena is not... the
program opens but I can
not open any file. When I opened athena on terminal and tried to open a file
the error below appeares.
Tk::Error: Failed to AUTOLOAD 'Tk::FBox::_get_select_Path' at
/usr/bin/athena line 5212
Carp::croak at /usr/lib/perl5/5.10.0/Carp.pm line 44
Tk::Widget::__ANON__ at
/usr/lib/perl5/vendor_perl/5.10.0/x86_64-linux-thread-
multi/Tk/Widget.pm line 347
Tk::FBox::Done at
/usr/lib/perl5/vendor_perl/5.10.0/x86_64-linux-thread-multi/Tk/FBox.pm
line 909
Tk::FBox::VerifyFileName at
/usr/lib/perl5/vendor_perl/5.10.0/x86_64-linux-thread-
multi/Tk/FBox.pm line 678
Tk::FBox::ActivateEnt at
/usr/lib/perl5/vendor_perl/5.10.0/x86_64-linux-thread-
multi/Tk/FBox.pm line 647
Tk::FBox::OkCmd at
/usr/lib/perl5/vendor_perl/5.10.0/x86_64-linux-thread-multi/Tk/FBox.pm
line 815
Tk callback for .fbox.frame1.button
Tk::__ANON__ at
/usr/lib/perl5/vendor_perl/5.10.0/x86_64-linux-thread-multi/Tk.pm line 250
Tk::Button::butUp at /usr/lib/perl5/vendor_perl/5.10.0/x86_64-linux-thread-
multi/Tk/Button.pm line 175
<ButtonRelease-1>
(command bound to event)
Thanks,
Gilberto
2
1
Dear all,
I'm sorry if I introduce an off-topic (OT) subject but I would like to
ask if you have knowledge of a simple ball&stick open source library
that could be called from Perl or Python in order to generate "on the
fly" theoretical paths visualization (or any atomic structure).
At the moment the simplest (and useful!) utility I have found is XBS
(http://ihp02.ihp-ffo.de/~msm/) but it is not the best solution because
it needs input files and the output quality is low.
Thanks for your help,
Mauro
--
Mauro Rovezzi <rovezzi(a)esrf.fr>
PhD student - GILDA BM08 c/o ESRF (Grenoble, FR)
2
1
Hi all,
as now we have a time for XAS spectra requests, I would like to ask you
also for one. I need spectra of Cu(OH)_{2}. If someone could help I
would preciate. Thanks in advance
darek
------------------------------------------------------------------------
dr. Zajac Dariusz A. Deutsches Elektronen-Synchrotron -Hasylab
phone: +49-40-8998-2932 Notkestr. 85
fax: +49-40-8998-2787 22607 Hamburg
e-mail: dariusz.zajac(a)desy.de Germany
------------------------------------------------------------------------
4
7
Hi Darek,
If you have not found the spectrum in the database, here you go...
-Sankaran
Uni Stuttgart
!
! Comments
%c
EXAFS-Scan started at 28-Nov-2006 00:54:18, ended 02:23:54
Name: cuoh2_00002 from 8689 to 10175.77
Cu 0.8mu, MOT8 at 62.2
Counter readings are offset corrected and normalized to 1s, the offsets
are:
C1 0 C2 0 C3 0 C5 0
C1 0.1 C2 0.1 C3 0.1 C5 0
!
! Parameter
%p
!
! The EXAFS Scan Regions
!
! Energy Delta Sample_Time Edge Power
! 8689 1 1 0 0
! 8949 0.5 1 0 0
! 9019 0.818 1 8979 1
! 10179 0 0 0 0
!
ENERGY = 8979
THETA2 = 12.72019
THETA1 = 12.72019
MC2_Z = 33.63474
EXIT_SLIT_TOP = 0.5000014
EXIT_SLIT_BOTTOM = -0.5
EXIT_SLIT_LEFT = 4
EXIT_SLIT_RIGHT = -4
SAMPLE_HEIGHT = 62.2
REFERENCE_HEIGHT = 40.01077
MONO_ENTR_SLIT = -60
PLANE_MIRR_SLIT = 0.5000793
PLANE_MIRR_THETA = -0.1680022
PLANE_MIRR_TRANSL = -32
PLANE_MIRR_HEIGHT = 0
REFL_SLIT_TOP = 2
REFL_SLIT_BOTTOM = -2
REFL_SLIT_LEFT = 8.5
REFL_SLIT_RIGHT = -7.5
TORO_MIRR_THETA = 0.01400023
TORO_MIRR_TRANSL = 5.7
TORO_MIRR_RHO_OLD = -0.5101779
TORO_MIRR_HEIGHT = 2.6
WHITE_SLIT_TOP = 0.9
WHITE_SLIT_BOTTOM = -0.9
TORO_MIRR_RHO = -0.4290012
MOT26 = -73
SAMPLE_HEIGHT_OLD = 24.50071
SAMPLE_RHO = 93
DET_VER = 10.5
MOT30 = 0
HE_KRYO_HEIGHT = 78.89
SAMPLE_HORIZONTAL = 84
!
! Data
%d
Col 1 CUOH2_00002 FLOAT
Col 2 CUOH2_00002 FLOAT
Col 3 CUOH2_00002_REF FLOAT
Col 4 cuoh2_00002_C1_SCAN_C1 FLOAT
Col 5 cuoh2_00002_C2_SCAN_C2 FLOAT
Col 6 cuoh2_00002_C3_SCAN_C3 FLOAT
Col 7 cuoh2_00002_C5_SCAN_C4 FLOAT
Col 8 CUOH2_00002_IDORIS FLOAT
Col 9 CUOH2_00002_DELTA FLOAT
Col 10 CUOH2_00002_SAMPLE_TIME FLOAT
8688.999 -0.9160514 -1.616946 79421
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8690.005 -0.916195 -1.616891 79414
198516 1000005 582 140.6929 1 1
8690.995 -0.9167968 -1.616227 79419
198648 1000006 581 140.6842 1 1
8692.002 -0.9169251 -1.616085 79420
198676 1000005 581 140.674 1 1
8692.992 -0.9172173 -1.616071 79398
198679 1000006 581 140.6638 1 1
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198715 1000006 581 140.6554 1 1
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8695.998 -0.9180022 -1.61531 79396
198830 1000005 582 140.637 1 1
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198852 1000006 581 140.6282 1 1
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198976 1000006 582 140.6004 1 1
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198940 1000006 581 140.5925 1 1
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199037 1000006 581 140.5798 1 1
8703.009 -0.9196827 -1.614235 79348
199044 1000006 582 140.5725 1 1
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199138 1000006 581 140.5607 1 1
8704.995 -0.9202415 -1.614004 79322
199090 1000006 581 140.5531 1 1
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199186 1000006 581 140.5436 1 1
8706.998 -0.9208564 -1.613352 79325
199220 1000006 581 140.5332 1 1
8707.992 -0.9210504 -1.61332 79312
199226 1000005 580 140.524 1 1
8709.004 -0.9215401 -1.612919 79305
199306 1000005 581 140.5152 1 1
8709.998 -0.9218105 -1.612548 79313
199380 1000005 581 140.5069 1 1
8710.993 -0.9218587 -1.612589 79306
199372 1000006 581 140.4979 1 1
8712.004 -0.9224178 -1.612042 79305
199481 1000006 580 140.4869 1 1
8712.999 -0.9223476 -1.612111 79305
199467 1000005 581 140.4789 1 1
8713.994 -0.9228746 -1.611686 79297
199552 1000006 581 140.4701 1 1
8715.007 -0.9229347 -1.611626 79297
199564 1000006 581 140.4633 1 1
8716.003 -0.9232742 -1.611475 79282
199594 1000005 581 140.4522 1 1
8716.999 -0.9237504 -1.61105 79278
199679 1000006 581 140.4415 1 1
8717.995 -0.9235653 -1.611261 79276
199637 1000006 581 140.4301 1 1
8718.992 -0.9242787 -1.610533 79277
199782 1000005 580 140.4213 1 1
8720.005 -0.9240496 -1.610915 79265
199706 1000006 581 140.4116 1 1
8721.002 -0.9245644 -1.610298 79273
199829 1000005 581 140.4038 1 1
8722 -0.9251846 -1.609943 79252
199900 1000005 581 140.3925 1 1
8722.997 -0.9253718 -1.609719 79255
199945 1000006 581 140.3823 1 1
8723.995 -0.9256028 -1.609589 79247
199971 1000006 581 140.3733 1 1
8724.993 -0.9256823 -1.609458 79251
199997 1000005 581 140.364 1 1
8726.008 -0.925855 -1.609564 79229
199976 1000006 581 140.3555 1 1
8727.006 -0.9264488 -1.608869 79237
200115 1000006 581 140.344 1 1
8728.005 -0.9264717 -1.608884 79234
200112 1000006 580 140.338 1 1
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200180 1000006 581 140.3279 1 1
8730.003 -0.9269611 -1.608609 79217
200167 1000006 581 140.3182 1 1
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200331 1000006 581 140.3119 1 1
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200294 1000005 581 140.3007 1 1
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200324 1000006 582 140.2908 1 1
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200319 1000006 582 140.2835 1 1
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200389 1000006 581 140.273 1 1
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200405 1000006 581 140.2634 1 1
8737.005 -0.9287407 -1.607246 79184
200440 1000006 581 140.2543 1 1
8738.006 -0.9291416 -1.606998 79172
200490 1000007 580 140.2447 1 1
8739.007 -0.9293418 -1.606847 79168
200520 1000006 581 140.236 1 1
8739.992 -0.929958 -1.606269 79165
200636 1000006 581 140.2262 1 1
8740.994 -0.9298488 -1.606593 79148
200571 1000006 581 140.2196 1 1
8741.996 -0.9302292 -1.606149 79153
200660 1000006 581 140.2088 1 1
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200748 1000007 581 140.1994 1 1
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200739 1000006 581 140.1887 1 1
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201921 1000006 581 139.9177 1 1
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201985 1000006 581 139.908 1 1
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202009 1000006 581 139.8988 1 1
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201998 1000005 581 139.8904 1 1
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202047 1000006 581 139.873 1 1
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202201 1000006 581 139.8542 1 1
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203807 1000006 581 139.4662 1 1
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79490.39 79570.2 580.7692 137.0076 0.859
1.04
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76615.45 581.8182 136.9669 0.901 1.1
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77407.27 580.9091 136.9539 0.909 1.1
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9034.995 0.1126623 -0.1707381 77255.09 69023.73
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9036.948 0.1406361 -0.1804885 77251.66
67116.66 80392.5 580.8333 136.8709 0.984
1.2
9037.933 0.1532899 -0.1794169 77253.33 66274.16
79298.33 580.8333 136.8612 0.992 1.2
9038.918 0.1631815 -0.1757306 77240.16 65610.66
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9039.92 0.1710146 -0.1694849 77216.39 65078.69
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75158.73 581.746 136.8071 1.034 1.26
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9045.045 0.1858888 -0.1558975 77183.59 64090.62
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63484.33 72011.2 579.8507 136.7265 1.101
1.34
9052.574 0.1973515 -0.1223099 77140.3 63324.62
71563.43 581.3433 136.714 1.109 1.34
9053.687 0.1999398 -0.1221641 77108.09 63134.56
71338.23 580.8823 136.7035 1.117 1.36
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71096.32 581.6176 136.6947 1.126 1.36
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70534.78 581.1594 136.6857 1.134 1.38
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69866.66 581.884 136.6753 1.142 1.38
9058.208 0.207412 -0.09567792 77112.14
62667.86 68960 580.7143 136.6602 1.151
1.4
9059.357 0.2086394 -0.0857088 77125 62601.43
68203.57 580.7143 136.6499 1.159 1.4
9060.524 0.2069709 -0.07278184 77121.13 62702.82
67436.62 580.986 136.6393 1.167 1.42
9061.691 0.2054078 -0.06398042 77107.05 62789.44
66938.03 580.986 136.6314 1.176 1.42
9062.876 0.201623 -0.05339536 77093.75 63016.66
66472.91 581.25 136.6195 1.184 1.44
9064.062 0.1972755 -0.04434922 77095.13
63292.36 66162.5 581.25 136.608 1.192
1.44
9065.246 0.1922354 -0.03779736 77082.88 63602.05
66052.05 580.8219 136.5981 1.201 1.46
9066.451 0.1847026 -0.02742464 77071.23 64073.29
65854.79 581.5068 136.5872 1.209 1.46
9067.654 0.1773678 -0.01793965 77063.52 64538.51
65706.76 581.0811 136.5737 1.217 1.48
9068.877 0.1689593 -0.003937337 77061.48 65081.76
65338.51 581.0811 136.5631 1.226 1.48
9070.1 0.1610956 0.006045005 77062 65596
65200.67 581.3333 136.5486 1.234 1.5
9071.34 0.1524042 0.01350431 77042.66 66152
65264.67 581.3333 136.5383 1.242 1.5
9072.581 0.1449955 0.01535241 77027.63 66630.92
65615.79 580.9211 136.5273 1.251 1.52
9073.822 0.1378799 0.01050624 77023.69 67103.29
66401.98 580.9211 136.5154 1.259 1.52
9075.082 0.1306596 0.0003843905 77025.98 67591.56
67565.59 581.1688 136.5036 1.267 1.54
9076.359 0.1249097 -0.01705391 77038.31 67992.21
69161.69 581.8182 136.4925 1.276 1.54
9077.637 0.1195158 -0.03962362 77014.1 68338.46
71100.64 582.0513 136.4805 1.284 1.56
9078.915 0.1147051 -0.0636138 76991.77 68648.1
73156.96 581.6456 136.4659 1.292 1.58
9080.211 0.1101166 -0.0856446 76996.84 68968.35
75135.44 581.0126 136.454 1.301 1.58
9081.508 0.105651 -0.1031393 76986.25 69267.5
76793.12 581.25 136.4453 1.309 1.6
9082.823 0.1029691 -0.1234936 76977.5 69445.62
78573.75 581.25 136.4319 1.317 1.6
9084.138 0.09997759 -0.1408675 76980.25 69656.17
80193.21 581.4815 136.4185 1.326 1.62
9085.472 0.09790782 -0.154695 76972.22 69793.21
81469.75 580.8642 136.4094 1.334 1.62
9086.806 0.09689189 -0.1661688 76970.73 69862.8
82492.07 581.0976 136.3943 1.342 1.64
9088.139 0.09612736 -0.1759067 76968.3 69914.02
83360.37 581.0976 136.3844 1.351 1.64
9089.491 0.09626782 -0.1846571 76965.66 69901.81
84078.31 581.3253 136.3738 1.359 1.66
9090.844 0.09624378 -0.1976282 76951.2 69890.36
85162.05 580.7229 136.3604 1.367 1.66
9092.215 0.09588121 -0.2105799 76947.02 69911.91
86298.81 580.9524 136.3508 1.376 1.68
9093.604 0.09660214 -0.2301248 76942.86 69857.74
87933.93 580.9524 136.3371 1.384 1.68
9094.977 0.09720636 -0.2465655 76946.47 69818.82
89341.77 581.1765 136.3239 1.392 1.7
9096.366 0.09820854 -0.2612356 76909.41 69715.29
90527.64 580.5882 136.3131 1.401 1.7
9097.775 0.09940601 -0.2711636 76894.77 69618.6
91304.07 581.3953 136.298 1.409 1.72
9099.184 0.1007777 -0.2735936 76900 69527.91
91406.98 581.3953 136.2889 1.417 1.72
9100.61 0.1017141 -0.2681262 76878.16
69443.1 90797.7 581.6092 136.2754 1.426
1.74
9102.021 0.1030748 -0.2586293 76905.75 69373.56
89849.42 581.0345 136.2644 1.434 1.74
9103.467 0.1040101 -0.2427152 76895.45 69299.43
88336.37 581.25 136.2477 1.442 1.76
9104.912 0.1046677 -0.2283525 76877.27 69237.5
86998.87 581.25 136.2386 1.451 1.76
9106.359 0.1044223 -0.2098216 76879.77 69256.74
85425.28 580.8989 136.227 1.459 1.78
9107.824 0.104068 -0.1927441 76878.09 69279.77
84006.74 580.8989 136.2133 1.467 1.78
9109.291 0.1033292 -0.1805648 76867.78
69321.67 83040 580.5555 136.2024 1.476
1.8
9110.757 0.1014289 -0.1674368 76858.34 69445
82102.78 581.1111 136.1887 1.484 1.8
9112.24 0.1008263 -0.1615072 76840.66
69470.88 81647.8 581.3187 136.1756 1.492
1.82
9113.744 0.09971955 -0.1568359 76829.12 69537.36
81345.05 580.7692 136.1638 1.501 1.82
9115.247 0.09934247 -0.1543628 76820.11 69555.43
81165.22 580.4348 136.1483 1.509 1.84
9116.751 0.09983539 -0.1555001 76808.15 69510.33
81204.89 580.9783 136.1366 1.517 1.84
9118.273 0.1017005 -0.1564356 76831.18 69401.61
81153.77 581.1828 136.125 1.526 1.86
9119.796 0.1033366 -0.1537703 76809.14 69268.28
80782.26 580.6451 136.1082 1.534 1.86
9121.319 0.1056837 -0.1440757 76813.83 69110.11
79820.21 581.383 136.0989 1.543 1.88
9122.86 0.1082242 -0.1270884 76784.58 68908.51
78246.81 580.8511 136.0839 1.551 1.88
9124.422 0.1110322 -0.1038919 76786.32
68716.84 76240 581.0526 136.0705 1.559
1.9
9125.982 0.1138296 -0.07587459 76763.16 68504.21
73904.21 581.0526 136.0574 1.568 1.9
9127.543 0.1171997 -0.05129787 76764.59 68275
71868.75 581.25 136.0452 1.576 1.92
9129.123 0.1191919 -0.02782201 76765.11 68139.59
70061.98 581.25 136.0319 1.584 1.92
9130.704 0.1218606 -0.01383311 76747.94 67942.78
68889.17 581.4433 136.0185 1.593 1.94
9132.304 0.1234023 -0.00767574 76743.3
67834.02 68356.7 581.4433 136.0058 1.601
1.94
9133.902 0.1259129 -0.01210433 76740.81 67661.73
68485.71 581.1224 135.9915 1.609 1.96
9135.521 0.1272151 -0.01768761 76725.51 67560.2
68765.81 581.1224 135.9788 1.618 1.96
9137.14 0.1281606 -0.0285216 76714.14 67486.36
69438.89 580.8081 135.9658 1.626 1.98
9138.759 0.1293153 -0.04189437 76709.09 67404.04
70287.88 581.3131 135.9542 1.634 1.98
9140.396 0.1301531 -0.05870812 76705
67344 71416 581.5 135.9387 1.643 2
9142.035 0.1305971 -0.07872684 76689.5
67300.5 72813 581.5 135.9274 1.651
2
9143.692 0.1314898 -0.1067651 76685.15 67236.63
74812.38 581.6832 135.914 1.659 2.02
9145.35 0.1314635 -0.1348593 76695.55 67247.52
76956.44 581.1881 135.9023 1.668 2.02
9147.009 0.1312529 -0.1637289 76687.26 67254.41
79218.63 580.8824 135.8849 1.676 2.04
9148.686 0.1302913 -0.1944238 76667.16
67301.47 81745.1 580.8824 135.8719 1.684
2.04
9150.381 0.1289061 -0.2272539 76662.62 67390.78
84585.44 580.5825 135.8604 1.693 2.06
9152.077 0.1266742 -0.2594953 76667.48 67545.63
87557.77 581.5534 135.8444 1.701 2.06
9153.774 0.1237175 -0.2893487 76653.37 67733.17
90461.54 580.7692 135.8328 1.709 2.08
9155.489 0.1203007 -0.3160163 76650.95 67962.86
93221.43 580.9524 135.8179 1.718 2.1
9157.206 0.1163768 -0.3356333 76642.86 68222.86
95431.91 580.9524 135.8042 1.726 2.1
9158.924 0.1114914 -0.3426648 76633.49 68548.59
96564.16 580.6604 135.7916 1.734 2.12
9160.658 0.1064466 -0.3437319 76619.34 68882.55
97138.21 581.1321 135.7773 1.743 2.12
9162.413 0.1006395 -0.3312434 76593.92 69260.74
96459.34 581.3084 135.7599 1.751 2.14
9164.15 0.09530104 -0.3116682 76595.79 69633.17
95098.12 580.8411 135.744 1.759 2.14
9165.924 0.0905346 -0.2916811 76587.03 69957.87
93650.92 581.4814 135.7327 1.768 2.16
9167.682 0.0852183 -0.265958 76589.81
70333.33 91762.5 581.4814 135.7195 1.776
2.16
9169.456 0.08099581 -0.2426603 76564.22 70607.34
89998.62 581.1926 135.7044 1.784 2.18
9171.25 0.07733555 -0.2221192 76585.32 70885.78
88516.51 581.1926 135.6874 1.793 2.18
9173.045 0.0740714 -0.2091735 76559.09 71093.18
87633.63 580.9091 135.6735 1.801 2.2
9174.84 0.07160086 -0.2022079 76525.45 71237.73
87202.27 580.9091 135.6595 1.809 2.2
9176.655 0.07003522 -0.199724 76532.43 71355.85
87130.18 581.0811 135.6428 1.818 2.22
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87353.15 581.5315 135.6304 1.826 2.22
9180.305 0.06776882 -0.2094234 76519.64 71505.8
88164.29 581.6964 135.619 1.835 2.24
9182.14 0.0664603 -0.2135617 76517.86 71597.77
88643.75 581.25 135.5992 1.843 2.24
9183.976 0.06535523 -0.2170629 76500.45 71660.62
89032.74 580.9734 135.5883 1.851 2.26
9185.829 0.06449844 -0.2193892 76499.12 71720.8
89315.05 581.416 135.5739 1.86 2.26
9187.685 0.0632247 -0.2200871 76490.79 71804.39
89481.58 581.1404 135.561 1.868 2.28
9189.56 0.06360073 -0.2239731 76479.83 71767.11
89783.34 580.7018 135.541 1.876 2.28
9191.435 0.0640709 -0.230485 76473.91 71727.83
90320.44 581.3044 135.5283 1.885 2.3
9193.31 0.0645299 -0.2348449 76448.27 71670.87
90643.05 581.3044 135.5129 1.893 2.3
9195.205 0.06594379 -0.2388214 76451.73 71572.84
90879.74 581.4655 135.497 1.901 2.32
9197.119 0.0666088 -0.2393589 76449.14 71522.84
90865.09 581.4655 135.4849 1.91 2.32
9199.016 0.06791221 -0.2365273 76426.07 71408.12
90462.82 581.1966 135.4665 1.918 2.34
9200.949 0.06911066 -0.2268812 76431.62 71327.78
89493.59 581.624 135.4527 1.926 2.34
9202.866 0.06940967 -0.2095165 76416.53 71292.38
87909.33 581.356 135.4376 1.935 2.36
9204.801 0.06971963 -0.1930732 76409.33 71263.56
86440.68 581.356 135.423 1.943 2.36
9206.755 0.06935185 -0.178121 76405.88 71286.55
85185.29 581.0924 135.4088 1.951 2.38
9208.692 0.0692793 -0.1697327 76401.68
71287.81 84475.2 581.0924 135.3965 1.96
2.38
9210.667 0.06862127 -0.1681653 76385
71319.16 84380 581.25 135.3793 1.968
2.4
9212.624 0.06862078 -0.1704855 76379.16 71313.75
84569.58 581.6666 135.364 1.976 2.4
9214.601 0.0677318 -0.1746585 76373.96 71372.31
84992.97 581.405 135.3478 1.985 2.42
9216.597 0.06654886 -0.1813398 76364.05 71447.52
85652.89 581.405 135.3324 1.993 2.42
9218.592 0.06546526 -0.1946428 76342.62 71504.91
86869.67 581.1475 135.3149 2.001 2.44
9220.59 0.06394421 -0.2112017 76339.75 71611.06
88451.23 581.5574 135.2989 2.01 2.44
9222.588 0.06197192 -0.2269001 76347.97
71760.16 90037.8 581.7073 135.2833 2.018
2.46
9224.623 0.05964044 -0.2468498 76327.23 71908.13
92041.46 581.7073 135.267 2.026 2.46
9226.642 0.05604566 -0.2652485 76311.29 72152.02
94068.55 581.4516 135.2514 2.035 2.48
9228.679 0.05396976 -0.2862478 76310.08 72300.8
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9230.717 0.05141494 -0.3052811 76311.6
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2.5
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2.6
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2.66
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2.66
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2.9
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2.94
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2.96
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3.1
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3.18
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3.24
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3.26
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3.32
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3.34
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3.36
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3.42
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3.64
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3.68
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3.82
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3.86
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4.12
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4.14
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9692.587 -0.1742982 -0.7335671 74405.22 88572.75
184452.4 581.2797 131.9289 3.455 4.22
9696.04 -0.175603 -0.7363582 74399.05 88681.05
185194.1 581.5166 131.9023 3.463 4.22
9699.514 -0.1769844 -0.7391478 74363.21 88760.85
185878.5 581.368 131.8767 3.471 4.24
9702.99 -0.17828 -0.7411693 74359.67 88871.7
186487.3 581.368 131.8507 3.48 4.24
9706.472 -0.1797653 -0.7452549 74354.92 88998.12
187517.1 581.2206 131.8294 3.488 4.26
9709.953 -0.1810132 -0.7473871 74330.75 89080.27
188090.8 581.4554 131.8056 3.496 4.26
9713.459 -0.1824195 -0.7516828 74319.62 89192.29
189138.1 581.7757 131.783 3.505 4.28
9716.945 -0.183632 -0.7557339 74303.27 89280.84
190094.4 581.3084 131.757 3.513 4.28
9720.477 -0.1852446 -0.7564353 74277.91 89394.41
190469.8 581.6279 131.7345 3.521 4.3
9723.989 -0.18661 -0.7602264 74269.77 89506.74
191433.5 581.3953 131.71 3.53 4.3
9727.525 -0.1882126 -0.7622097 74262.03 89640.97
192101.2 581.4814 131.6872 3.538 4.32
9731.064 -0.1897114 -0.7663843 74245.6 89755.55
193151.4 581.4814 131.6647 3.546 4.32
9734.605 -0.1913879 -0.7673346 74223.96
89879.95 193603 581.106 131.6408 3.555
4.34
9738.149 -0.1924753 -0.7704337 74219.12 89971.88
194402.5 581.3364 131.6174 3.563 4.34
9741.717 -0.1941731 -0.7727069 74201.38 90103.21
195129.4 581.1926 131.5921 3.571 4.36
9745.286 -0.1954897 -0.7756405 74198.62 90218.58
195953.2 581.1926 131.5687 3.58 4.36
9748.879 -0.1972325 -0.7773853 74178.08 90350.91
196583.3 581.2785 131.5416 3.588 4.38
9752.454 -0.1983988 -0.7814649 74165.75 90441.32
197584.5 581.5068 131.5199 3.597 4.38
9756.053 -0.2000841 -0.7825196 74158.86 90585.45
198108.2 581.5909 131.4965 3.605 4.4
9759.674 -0.2010596 -0.787679 74146.59 90658.86
199294.3 581.8182 131.4742 3.613 4.4
9763.278 -0.2027545 -0.7890071 74126.47 90788.01
199843.4 581.4479 131.4521 3.622 4.42
9766.905 -0.2042531 -0.7915499 74112.67 90907.23
200615.4 581.6742 131.4262 3.63 4.42
9770.535 -0.2055488 -0.7944462 74093.7 91001.8
201406.5 581.5315 131.4013 3.638 4.44
9774.168 -0.2070249 -0.7970237 74077.25 91115.99
202179.7 581.7568 131.3792 3.647 4.44
9777.824 -0.2082031 -0.8031633 74061.88 91204.48
203622.4 581.6143 131.3541 3.655 4.46
9781.482 -0.2097286 -0.8047759 74045.52 91323.54
204217.3 581.8386 131.3307 3.663 4.46
9785.145 -0.2112285 -0.8070495 74033.48
91445.76 204956 581.4732 131.3036 3.672
4.48
9788.809 -0.2126778 -0.8099405 74019.2 91560.71
205807.8 581.4732 131.2805 3.68 4.48
9792.497 -0.2138429 -0.8145974 74001.34 91645.34
206959.6 581.1111 131.2562 3.688 4.5
9796.188 -0.2153694 -0.8171718 73995.78 91778.45
207794.4 581.5555 131.2299 3.697 4.5
9799.882 -0.2169705 -0.8197341 73985.4 91912.61
208632.1 581.8584 131.2065 3.705 4.52
9803.579 -0.2188276 -0.8212922 73976.21 92072.02
209319.8 581.0573 131.1819 3.713 4.54
9807.299 -0.2202323 -0.8233477 73951.54 92170.7
209975.3 581.0573 131.1584 3.722 4.54
9811.022 -0.2214481 -0.8277655 73920.84 92244.52
211073.9 581.579 131.132 3.73 4.56
9814.748 -0.2229134 -0.8313667 73930.7 92392.11
212174.3 581.579 131.1076 3.739 4.56
9818.498 -0.2242077 -0.8357968 73902.62 92476.64
213311.4 581.441 131.0814 3.747 4.58
9822.229 -0.2259346 -0.8372965 73884.5 92613.76
213948.2 581.6594 131.0585 3.755 4.58
9825.985 -0.2275993 -0.8394876 73886.74 92770.88
214781.3 581.3044 131.0333 3.764 4.6
9829.764 -0.2289489 -0.8420216 73863.7 92867.18
215549.8 581.3044 131.0102 3.772 4.6
9833.525 -0.2301332 -0.8469578 73846.54 92955.63
216822.7 581.6017 130.9845 3.78 4.62
9837.311 -0.2316851 -0.8518745 73840.7 93092.64
218212.6 581.1688 130.9587 3.789 4.62
9841.1 -0.2331145 -0.8530397 73824.36
93205.17 218731 580.819 130.9328 3.797
4.64
9844.89 -0.2347148 -0.8559673 73814.88 93342.46
219695.5 580.6035 130.9058 3.805 4.64
9848.705 -0.2361134 -0.8592763 73788.84 93440.13
220654.3 581.1159 130.8839 3.814 4.66
9852.524 -0.2375821 -0.8624155 73785.62 93573.39
221663.7 581.1159 130.8582 3.822 4.66
9856.346 -0.2389406 -0.866123 73765.81 93675.43
222729.7 580.9829 130.8306 3.83 4.68
9860.17 -0.240465 -0.8694502 73750.22 93798.51
223765.6 580.9829 130.8087 3.839 4.68
9864.019 -0.2416302 -0.8724822 73746.38 93902.98
224695.1 581.4894 130.7789 3.847 4.7
9867.849 -0.2433288 -0.8744358 73720.64 94029.79
225438.5 581.2766 130.7556 3.856 4.7
9871.702 -0.2449749 -0.8757373 73718.86 94182.42
226098.5 581.1441 130.7328 3.864 4.72
9875.581 -0.2466001 -0.8782026 73696.83 94307.42
226957.4 581.1441 130.7064 3.872 4.72
9879.443 -0.2476443 -0.882942 73674.9 94377.85
228205.9 581.2236 130.6818 3.881 4.74
9883.327 -0.2493295 -0.8849612 73670.05 94530.8
229037.8 581.0127 130.6553 3.889 4.74
9887.216 -0.2505484 -0.8890806 73644.95 94613.86
230185.3 581.3025 130.6294 3.897 4.76
9891.127 -0.2520224 -0.8923002 73628.57 94732.35
231216.8 581.3025 130.6058 3.906 4.76
9895.021 -0.2531911 -0.8955087 73615.06 94825.73
232188.5 581.5899 130.5789 3.914 4.78
9898.939 -0.2547251 -0.897184 73602.92 94955.64
232896.4 581.3807 130.5542 3.922 4.78
9902.861 -0.2562643 -0.8992658 73585 95078.75
233684.4 581.25 130.5272 3.931 4.8
9906.787 -0.2575805 -0.9034094 73567.91 95181.88
234909.2 581.25 130.5025 3.939 4.8
9910.735 -0.2590616 -0.9044798 73555.8 95307.26
235470.5 581.3278 130.4763 3.947 4.82
9914.688 -0.2602722 -0.9104101 73539.41 95401.45
237105.2 581.5353 130.4504 3.956 4.82
9918.644 -0.2615568 -0.9142758 73534.71 95517.97
238314.2 581.6116 130.4231 3.964 4.84
9922.603 -0.2632515 -0.9167878 73518.18 95658.47
239265.1 581.405 130.3946 3.972 4.84
9926.564 -0.2646601 -0.9183254 73502.47 95772.84
239919.8 581.0699 130.3719 3.981 4.86
9930.552 -0.2662603 -0.9214873 73466.46 95879.22
240946.9 580.8642 130.3465 3.989 4.86
9934.541 -0.2677618 -0.9252858 73465.57 96022.12
242224.4 581.1475 130.3204 3.998 4.88
9938.534 -0.2690301 -0.9300012 73451.84 96126.02
243632.6 581.5574 130.2921 4.006 4.88
9942.553 -0.2706184 -0.933166 73441.84
96265.71 244760 582.0408 130.2672 4.014
4.9
9946.574 -0.2723669 -0.9340918 73425.91 96413.27
245362.2 581.4286 130.2403 4.023 4.9
9950.578 -0.2735913 -0.9381644 73398.17 96494.91
246572.2 581.3008 130.2155 4.031 4.92
9954.627 -0.2755136 -0.9409024 73400.41 96683.53
247731.5 581.504 130.1908 4.039 4.92
9958.658 -0.2770178 -0.9434696 73389.88 96815.18
248706.5 581.3765 130.164 4.048 4.94
9962.714 -0.2779255 -0.9507638 73368.83 96875.3
250682.8 581.5789 130.1392 4.056 4.94
9966.753 -0.279907 -0.9512416 73344.96 97035.88
251218.3 581.25 130.1112 4.064 4.96
9970.837 -0.2812562 -0.9547032 73332.66 97150.6
252387.5 581.4516 130.0859 4.073 4.96
9974.902 -0.2827646 -0.958266 73315.66 97274.7
253611.8 581.5261 130.0606 4.081 4.98
9978.974 -0.2844347 -0.9605305 73301.2 97418.07
254561.4 581.3253 130.0328 4.089 4.98
9983.066 -0.2862177 -0.9627611 73293 97581
255556.6 581.4 130.005 4.098 5
9987.165 -0.2873286 -0.9677265 73266.53 97654.19
257021.3 581.2749 129.9807 4.106 5.02
9991.288 -0.2889409 -0.9701182 73261.75 97805.38
258035.7 581.2749 129.9503 4.115 5.02
9995.393 -0.2902907 -0.9737609 73244.84 97914.88
259267.3 581.3492 129.928 4.123 5.04
9999.523 -0.2918433 -0.9756314 73240.28 98060.91
260140.1 581.3492 129.9023 4.131 5.04
10003.66 -0.2937176 -0.9782977 73223.32 98222.13
261263.4 581.4229 129.8761 4.14 5.06
10007.79 -0.2948881 -0.9833791 73201.98 98308.5
262825.3 581.2253 129.8505 4.148 5.06
10011.93 -0.2965294 -0.985831 73194.29 98459.65
263875.6 581.1024 129.8213 4.156 5.08
10016.1 -0.2980552 -0.9879006 73178.55 98588.78
264769.1 581.2992 129.7939 4.165 5.08
10020.27 -0.2989719 -0.9939678 73154.71 98647.06
266537.8 580.9804 129.7717 4.173 5.1
10024.44 -0.3009697 -0.9957541 73139.02
98823.14 267491 581.1765 129.7409 4.181
5.1
10028.62 -0.3022175 -1.000394 73134.38 98940.23
269053.3 581.4453 129.7136 4.19 5.12
10032.8 -0.3035528 -1.00374 73104.69 99032.23
270206.1 581.4453 129.6855 4.198 5.12
10037 -0.3049954 -1.004922 73079.96 99141.64
270824.7 580.7393 129.659 4.206 5.14
10041.21 -0.3067298 -1.005635 73069.84 99300
271450.8 580.9338 129.6328 4.215 5.14
10045.42 -0.3081777 -1.009801 73054.27 99422.68
272920.6 581.3954 129.605 4.223 5.16
10049.64 -0.309582 -1.012877 73037.21 99539.15
274082.2 581.3954 129.5743 4.232 5.16
10053.88 -0.3105683 -1.016986 73020.85 99615.06
275420.7 581.4672 129.5518 4.24 5.18
10058.12 -0.3121064 -1.019782 72999.62 99739.38
276536.5 581.2742 129.523 4.248 5.18
10062.38 -0.3135855 -1.021047 72995.2 99880.97
277279.4 580.9615 129.4976 4.257 5.2
10066.63 -0.3147411 -1.025627 72978.27 99973.27
278809.8 580.9615 129.4716 4.265 5.2
10070.88 -0.3162828 -1.028625 72959.2 100101.3
280005.2 581.4177 129.4412 4.273 5.22
10075.16 -0.3174573 -1.032887 72938.12 100190
281450.4 581.4177 129.4168 4.282 5.22
10079.45 -0.3187815 -1.037973 72934.73 100318.1
283247.2 581.6794 129.3876 4.29 5.24
10083.74 -0.3202578 -1.040198 72920.23 100446.4
284240.8 581.8702 129.3656 4.298 5.24
10088.03 -0.3216768 -1.043282 72895.81 100555.3
285427.9 581.749 129.3376 4.307 5.26
10092.35 -0.323152 -1.045373 72871.48 100670.1
286352.1 581.5589 129.3069 4.315 5.26
10096.65 -0.3248683 -1.046986 72874.43 100847.2
287318.8 581.6288 129.2836 4.323 5.28
10100.98 -0.3260214 -1.051646 72851.13 100931.2
288901.5 581.8182 129.2527 4.332 5.28
10105.31 -0.3278494 -1.052939 72827.16 101082.6
289709.2 580.9434 129.2268 4.34 5.3
10109.66 -0.3293603 -1.056046 72798.11 101195.1
290933.9 581.3207 129.1986 4.348 5.3
10114 -0.3306668 -1.060307 72789.09
101314.8 292522 581.3909 129.173 4.357
5.32
10118.36 -0.3323018 -1.063432 72773.87 101459.4
293856.2 581.5789 129.1455 4.365 5.32
10122.73 -0.333741 -1.065545 72758.23 101583.7
294838.8 581.4606 129.117 4.374 5.34
10127.1 -0.3353355 -1.070271 72740.07 101720.4
296634.1 581.6479 129.0906 4.382 5.34
10131.48 -0.3369642 -1.074219 72736.2 101880.8
298276.8 581.3433 129.0607 4.39 5.36
10135.88 -0.3385116 -1.077082 72719.21 102014.7
299525.4 581.3433 129.034 4.399 5.36
10140.28 -0.3399971 -1.081194 72695.91 102133.6
301110.2 581.2267 129.0084 4.407 5.38
10144.69 -0.3415332 -1.083918 72693.3 102287
302384.9 581.4126 128.9791 4.415 5.38
10149.1 -0.3433089 -1.086838 72674.07 102441.7
303727.8 581.2963 128.9538 4.424 5.4
10153.52 -0.3447922 -1.090293 72658.7 102572
305166.8 581.4814 128.9231 4.432 5.4
10157.97 -0.3461569 -1.094603 72633.95 102677.1
306798.7 581.9188 128.8965 4.44 5.42
10162.39 -0.3477357 -1.096089 72625.83 102827.9
307706.3 581.9188 128.8687 4.449 5.42
10166.84 -0.3492052 -1.100713 72596.51 102937.5
309461.9 581.6176 128.8397 4.457 5.44
10171.3 -0.3507942 -1.104715 72591.91 103094.7
311177.2 581.6176 128.8124 4.465 5.44
10175.78 -0.3524879 -1.107431 72563.19 103228.6
312428.8 581.685 128.7832 4.465 5.46
2
1
Dear all,
I would like to ask if anyone has a reference spectra of CoSi. I
would appreciate if someone could help.
Thanks in advance!
Csaba Cserhati
P.S. I have already checked the databases you offered to Darek.
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Hello All:
I have reworked the database web site a bit and I would appreciate it if
the following URL is used to access it in the future. It would make my
life a lot easier if I knew where users entered the database.
http://ixs.iit.edu/database/
I took the liberty of continuing the association with the IXAS. If there
is an objection, please let me know.
Carlo
--
Carlo U. Segre -- Professor of Physics
Associate Dean for Special Projects, Graduate College
Illinois Institute of Technology
Voice: 312.567.3498 Fax: 312.567.3494
segre(a)iit.edu http://www.iit.edu/~segre segre(a)debian.org
1
0
Hi everybody,
I wish to know if somedody can send me a
reference xanes spectrum for pure Zn (ascii
file)? That would be great....
Thank you everybody
Michel
--
__________________________________________
Michel Jaouen
Universite de Poitiers - UFR Sciences - SP2MI
Laboratoire de Physique des Matériaux (PhyMat) UMR 6630-CNRS
Boulevard Pierre et Marie Curie - Teleport 2
BP 30179
86962 Futuroscope - Chasseneuil Cedex
France
Tel : (33) 5 49 49 67 37
Fax : (33) 5 49 49 66 92
e-mail : Michel.Jaouen(a)univ-poitiers.fr
__________________________________________
4
3
Hi,
Could you please clarify me, up to what decimal place in the
bond lengths obtained from EXAFS fitting is reliable?
If there are changes in the bond lengths in the fourth
decimal place around the region of phase transition, can one consider this as a
genuine one even though the error bars obtained from the EXAFS fitting are more
than the variation in the bond lengths?
Regards
Bindu
Dr.Bindu R.
Visiting Fellow
BG-37
DCMP&MS
Tata Institute of Fundamental Research
Homi Bhabha Road
Colaba
Mumbai-400 005
India
Contact Number
Lab- 022-2278 2256, 022-2278 2671
Mobile-919892536830
Bring your gang together. Do your thing. Find your favourite Yahoo! group at http://in.promos.yahoo.com/groups/
2
1
Hi gang,
I received an interesting question this afternoon about EXAFS
parameters and I thought that Olivier would benefit by hearing what
more people than just me would have to say about this topic.
He asks:
Can you point me to documentation about the third and fourth
cumulants? Since I study glasses, which are highly disordered, I
would like to measure the anharmonicity parameters. What are
typical values for C3 and C4?
Grant Bunker has a very useful paper on the cumulants in
Nucl. Instrum, and Meth. (1983) v. 207, p 437-444. Anatoly's paper on
cumulants Phys. Rev. B 48, 585 - 588 (1993) is also handy and should
give you some sense of what size the C3 and C4 parameters should be.
In my experience, C3 and C4 should be smaller than sigma^2 -- perhaps
by about 1 and 2 orders of magnitude, respectively. When they get
much bigger than that, one can reasonably ask whether a short cumulant
expansion (that is, an expansion out to only the 4th cumulant) is
really adequate for describing the distribution of atoms in such a
disordered material. There are people who have been applying reverse
monte carlo or molecular dynamics to come up with better descriptions
of highly disordered materials.
Hopefully others will contribute to answering your questions.
B
Olivier: Sorry for switching languages on you -- hopefully it will
prove useful to hear from others on the list. Je m'excuse de changer
de langue pour cette conversacion -- on espere que il y aura des
autres response utils ici sur la liste.
---------- Forwarded Message ----------
Subject: Re: Athena/Artemis
Date: Thursday 24 July 2008
From: Olivier Villain <olivier.villain(a)impmc.jussieu.fr>
To: Bruce Ravel <bravel(a)bnl.gov>
Pourrais-tu m'indiquer où est l'aide concernant les paramètres 3rd et
4th ? Comme j'étudie des verres, donc du désordre, j'aimerais essayer
des paramètres d'anharmonicité. Quelles sont les valeurs typiques ?
Quelle est l'unité ?
Je n'ai pas réussi à trouver ça dans l'aide. J'espère que je ne suis
pas trop lourd...
A bientôt,
Olivier
-------------------------------------------------------
--
Bruce Ravel ------------------------------------ bravel(a)bnl.gov
National Institute of Standards and Technology
Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
Building 535A
Upton NY, 11973
My homepage: http://xafs.org/BruceRavel
EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
1
0