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mucal.py
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#!/usr/bin/env python
# This is a translation of mucal.c program by Boyan Boyanov into python
# by Martin Savko ([email protected]).
#
import numpy as np
#/* mucal.c, version 1.2
#*
#* This file has ben automatically generated from MUCAL.F
#* MUCAL is written by Pathikrit Bandyopadhyay and has been
#* hereby mutilated by Boyan Boyanov ([email protected]).
#* Ported to C from version 1.7 of MUCAL.F, as distributed
#* on xafsdb.iit.edu. Some of the input parameters have been
#* renamed and moved around to more logical positions, at
#* least IMHO. Dirtect all bug reports to [email protected].
#*
#* Documentation (adapted from MUCAL.F):
#*
#* This is a program to calculate x-sections using McMaster
#* data in May 1969 edition.
#*
#* NOTE: this program has data for all the elements from 1 to 94
#* with the following exceptions:
#* 84 po \
#* 85 at |
#* 87 fr |
#* 88 ra > Mc Master did not have any data for these
#* 89 ac |
#* 91 pa |
#* 93 np /
#*
#* Usage:
#*
#* #include <mucal.h>
#* err = mucal(element, Z, e_phot, unit, print_flag,
#* energy, xsec, fl_yield, errmsg)
#*
#* where:
#*
#* char *element - the name of the element of interest. If Z is given
#* (see below) element may be left blank. If both Z
#* and element are given they must agree.
#* int Z - the Z for the element of interest (0 if unknown). If
#* element is given, Z may be 0. If both element and Z
#* are given they must agree. Z may not be < 0.
#* double e_phot - photon energy for calculation, in kev. May not
#* be <0. if e_phot=0 no calculations for the scattering
#* crossection is done. Instead, only the various energy-
#* independent physical constants for the element of interest
#* are returned.
#* char unit - units for the scattering crossections. If 'c' or 'C'
#* crossections are calculated in cm^2/g. In all other
#* cases, the crossections are in barns/atom.
#* int print_flag - when <>0 all errors are printed to the terminal
#*
#* Returned values:
#*
#* double *energy - x-ray energies for the element, in keV
#* energy[ 0]=k-edge energy
#* energy[1]=l1-edge energy
#* energy[2]=l2-edge energy
#* energy[3]=l3-edge energy
#* energy[4]=m-edge energy
#* energy[5]=k-alpha1
#* energy[6]=k-beta1
#* energy[7]=l-alpha1
#* energy[8]=l-beta1
#*
#* double *xsec - various crossections and material constants for
#* the element.
#* xsec[0]=photoelectric x-section
#* xsec[1]=coherent x-section
#* xsec[2]=incoherent x-section
#* xsec[3]=total x-section
#* xsec[4]=conversion factor (cm^2/g to barns/atom)
#* xsec[5]=absorption coefficient (cm^-1)
#* xsec[6]=atomic weight (g/mole)
#* xsec[7]=density (g/cm^3)
#* xsec[8]=l1-edge jump (fractional)
#* xsec[9]=l2-edge jump (fractional)
#* xsec[10]=l3-edge jump (fractional)
#*
#* double *fl_yield - fluorescent yield for the element
#* fl_yield[ 0]= k fluorescence yield
#* fl_yeild[1]= l1 fluorescence yield
#* fl_yield[2]= l2 fluorescence yield
#* fl_yield[3]= l3 fluorescence yield
#*
#* char *err_msg - text of error message (if any). contains a
#* description of any error conditions that may occur.
#* must be at least 100 chars long. when print_flag is
#* set, the text of this buffer is printed to the terminal
#*
#* Return codes (defined in mucal.h):
#* no_error - no error
#* no_input - no name, no Z, no service
#* no_zmatch - Z does not match name
#* no_data - data not avaialble for requested material
#* bad_z - bad (negative) Z
#* bad_name - invalid element name
#* bad_energy - bad (negative) photon energy
#* within_edge - photon energy within 1 eV of an edge (warning)
#* m_edge_warn - M-edge data requested for a Z<30 element (warning)
#* satan_rules - internal error of dubious origin :-)
#*
#* Remarks:
#* If e_phot = 0 the program returns data for everything but xsec[ 0-3]
#*
#* Acknowledgment:
#* The C port of MUCAL was made possible in part by a funds provided
#* by the Industrial Macromeollecular Crystallography Association (IMCA).
#*
#* Original credits and version history follow:
#*
#*c written by pathikrit bandyopadhyay |
#*c at the university of notre dame.i am thankful to |
#*c dr. b. a. bunker and mr. q. t. islam for their helpful |
#*c suggestions. special thanks goes to mr. m. zanabria |
#*c for helping to get all the data in. |
#*
#*c put all returned values in array xsec/jul,28 _pat |
#*c can call it either by element name or z/jul,31 _pat |
#*c data input completed on sept 1,1985 ______pat |
#*c change call format,include energy array,includ density |
#*c in xsec,add error # & error flag/sep,6 _pat |
#*c correct l-edge calculation using step jump |
#*c and warning for z<30/sep,9 _pat |
#*c return l-edges /sep 10,_ pat |
#*c return l-edge jumps,error 6 /sep 12,_ pat |
#*c check for no name & z,error 7 /sep 13,_ pat |
#*c thanks to quazi ljump can not be calculated for z<30 -pat |
#*c revision date dec 9,1985 _____________ pat |
#*c l-edges for elements z=12-26 supplied from nsls handbook |
#*c & corrections as noted by kim of nrl, april6,1991 ______anne |
#*c add if statement so accept energy e=1. kev, and |
#*c print ljump for z=27 and 28,april10,1991______________anne |
#*c corrected l2 l3 edge calculation (thanks to boyan) |
#*c using l-edge coefficianets instead of m-edge ones.____3/15/95 pat|
#*c correct AK(1,57) coefficient (for La) |
#*c----------------------------------------------------------------------+
#*c $Log: mucal.c,v $
#*c Revision 1.3 2003/12/09 16:39:13 gwyndaf
#*c Moved back up to here
#*c
#*c Revision 1.2 2003/06/07 12:46:49 gwyndaf
#*c Spelling error for Hg
#*c
#*c Revision 1.1.1.1 2003/01/16 21:02:25 gwyndaf
#*c Imported sources
#*c
#*c Revision 1.9 7/7/95 14:48:38 pat
#*
#*
#* Additions to the C version:
#* version 1.0:
#* converted everything to double precision,march 4,95_____boyan
#* checks for photon energies within 1 eV of l2 and l3
#* edges march 4, 95_________boyan
#* issues Z<30 warning for M edges only if Z<30 march 4, 95___boyan
#* version 1.1:
#* fix bug in L1 and higher edge calculations april 23, 96___boyan
#* (thanks to [email protected] for finding the bug)
#* version 1.2:
#* yet another bug fix in L-edge calculations may 29, 96___boyan
#* (thanks to N.Kawada ([email protected]) for
#* finding the bug)
#* version 1.3:
#* correct densitties for several gaceous light elements
#* april 25, 98___boyan
#*/
#define ZMAX 94 /* maximum allowed Z */
#define NELEM 103 /* number of elements */
#/* Element chemical symbols */
element = [
"H" , "He", "Li", "Be", "B" , "C" , "N" , "O" , "F" , "Ne", "Na",
"Mg", "Al", "Si", "P" , "S" , "Cl", "Ar", "K" , "Ca", "Sc", "Ti",
"V" , "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As",
"Se", "Br", "Kr", "Rb", "Sr", "Y" , "Zr", "Nb", "Mo", "Tc", "Ru",
"Rh", "Pd", "Ag", "Cd", "In", "Sn", "Sb", "Te", "I" , "Xe", "Cs",
"Ba", "La", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy",
"Ho", "Er", "Tm", "Yb", "Lu", "Hf", "Ta", "W" , "Re", "Os", "Ir",
"Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "At", "Rn", "Fr", "Ra",
"Ac", "Th", "Pa", "U" , "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es",
"Fm", "Md", "No", "Lw"
]
#/* K-edge energies, in keV */
k_edge = {
1: 0.140000E-01, 2: 0.250000E-01, 3: 0.550000E-01,
4: 0.112000E+00, 5: 0.188000E+00, 6: 0.284000E+00,
7: 0.402000E+00, 8: 0.537000E+00, 9: 0.686000E+00,
10: 0.867000E+00, 11: 0.107200E+01, 12: 0.130500E+01,
13: 0.156000E+01, 14: 0.183900E+01, 15: 0.214900E+01,
16: 0.247200E+01, 17: 0.282200E+01, 18: 0.320200E+01,
19: 0.360700E+01, 20: 0.403800E+01, 21: 0.449300E+01,
22: 0.496500E+01, 23: 0.546500E+01, 24: 0.598900E+01,
25: 0.654000E+01, 26: 0.711200E+01, 27: 0.770900E+01,
28: 0.833300E+01, 29: 0.897900E+01, 30: 0.965900E+01,
31: 0.103670E+02, 32: 0.111040E+02, 33: 0.118680E+02,
34: 0.126580E+02, 35: 0.134740E+02, 36: 0.143220E+02,
37: 0.152000E+02, 38: 0.161050E+02, 39: 0.170800E+02,
40: 0.179980E+02, 41: 0.189860E+02, 42: 0.199990E+02,
43: 0.210450E+02, 44: 0.221170E+02, 45: 0.232200E+02,
46: 0.243500E+02, 47: 0.255140E+02, 48: 0.267110E+02,
49: 0.279400E+02, 50: 0.292000E+02, 51: 0.304910E+02,
52: 0.318130E+02, 53: 0.331690E+02, 54: 0.345820E+02,
55: 0.359850E+02, 56: 0.374410E+02, 57: 0.389250E+02,
58: 0.404440E+02, 59: 0.419910E+02, 60: 0.435690E+02,
61: 0.451840E+02, 62: 0.468350E+02, 63: 0.485200E+02,
64: 0.502400E+02, 65: 0.519960E+02, 66: 0.537890E+02,
67: 0.556180E+02, 68: 0.574860E+02, 69: 0.593900E+02,
70: 0.613320E+02, 71: 0.633140E+02, 72: 0.653510E+02,
73: 0.674140E+02, 74: 0.695240E+02, 75: 0.716760E+02,
76: 0.738720E+02, 77: 0.761120E+02, 78: 0.783950E+02,
79: 0.807230E+02, 80: 0.831030E+02, 81: 0.855280E+02,
82: 0.880060E+02, 83: 0.905270E+02, 84: 0.000000E+00,
85: 0.000000E+00, 86: 0.984170E+02, 87: 0.000000E+00,
88: 0.000000E+00, 89: 0.000000E+00, 90: 0.109649E+03,
91: 0.000000E+00, 92: 0.115603E+03, 93: 0.000000E+00,
94: 0.121760E+03
}
#/* L1-edge energies, in keV */
l1_edge = {
1: 0.000000E+00, 2: 0.000000E+00, 3: 0.000000E+00,
4: 0.000000E+00, 5: 0.000000E+00, 6: 0.000000E+00,
7: 0.000000E+00, 8: 0.000000E+00, 9: 0.000000E+00,
10: 0.000000E+00, 11: 0.000000E+00, 12: 0.630000E-01,
13: 0.870000E-01, 14: 0.118000E+00, 15: 0.153000E+00,
16: 0.193000E+00, 17: 0.238000E+00, 18: 0.287000E+00,
19: 0.341000E+00, 20: 0.400000E+00, 21: 0.463000E+00,
22: 0.531000E+00, 23: 0.604000E+00, 24: 0.682000E+00,
25: 0.754000E+00, 26: 0.842000E+00, 27: 0.929000E+00,
28: 0.101200E+01, 29: 0.110000E+01, 30: 0.119600E+01,
31: 0.130200E+01, 32: 0.141400E+01, 33: 0.153000E+01,
34: 0.165300E+01, 35: 0.178200E+01, 36: 0.192000E+01,
37: 0.206500E+01, 38: 0.221600E+01, 39: 0.237300E+01,
40: 0.253200E+01, 41: 0.269800E+01, 42: 0.286600E+01,
43: 0.304300E+01, 44: 0.322400E+01, 45: 0.341200E+01,
46: 0.360500E+01, 47: 0.380600E+01, 48: 0.401800E+01,
49: 0.423800E+01, 50: 0.446500E+01, 51: 0.469800E+01,
52: 0.493900E+01, 53: 0.518800E+01, 54: 0.545200E+01,
55: 0.571300E+01, 56: 0.598700E+01, 57: 0.626700E+01,
58: 0.654900E+01, 59: 0.683500E+01, 60: 0.712600E+01,
61: 0.742800E+01, 62: 0.773700E+01, 63: 0.805200E+01,
64: 0.837600E+01, 65: 0.870800E+01, 66: 0.904700E+01,
67: 0.939500E+01, 68: 0.975200E+01, 69: 0.101160E+02,
70: 0.104880E+02, 71: 0.108700E+02, 72: 0.112720E+02,
73: 0.116800E+02, 74: 0.120980E+02, 75: 0.125250E+02,
76: 0.129640E+02, 77: 0.134240E+02, 78: 0.138920E+02,
79: 0.143530E+02, 80: 0.148460E+02, 81: 0.153440E+02,
82: 0.158600E+02, 83: 0.163850E+02, 84: 0.000000E+00,
85: 0.000000E+00, 86: 0.180550E+02, 87: 0.000000E+00,
88: 0.000000E+00, 89: 0.000000E+00, 90: 0.204700E+02,
91: 0.000000E+00, 92: 0.217560E+02, 93: 0.000000E+00,
94: 0.230950E+02
}
#/* L2-edge energies, in keV */
l2_edge = {
1: 0.000000E+00, 2: 0.000000E+00, 3: 0.000000E+00,
4: 0.000000E+00, 5: 0.000000E+00, 6: 0.000000E+00,
7: 0.000000E+00, 8: 0.000000E+00, 9: 0.000000E+00,
10: 0.000000E+00, 11: 0.000000E+00, 12: 0.496000E-01,
13: 0.729000E-01, 14: 0.998000E-01, 15: 0.136000E+00,
16: 0.163600E+00, 17: 0.202000E+00, 18: 0.250600E+00,
19: 0.297300E+00, 20: 0.349700E+00, 21: 0.403600E+00,
22: 0.461200E+00, 23: 0.519800E+00, 24: 0.583800E+00,
25: 0.649900E+00, 26: 0.719900E+00, 27: 0.793300E+00,
28: 0.872000E+00, 29: 0.952000E+00, 30: 0.104400E+01,
31: 0.114200E+01, 32: 0.124900E+01, 33: 0.136000E+01,
34: 0.147700E+01, 35: 0.159600E+01, 36: 0.172600E+01,
37: 0.186300E+01, 38: 0.200700E+01, 39: 0.215600E+01,
40: 0.230700E+01, 41: 0.246500E+01, 42: 0.262500E+01,
43: 0.279300E+01, 44: 0.296700E+01, 45: 0.314600E+01,
46: 0.333000E+01, 47: 0.352400E+01, 48: 0.372700E+01,
49: 0.393800E+01, 50: 0.415600E+01, 51: 0.438100E+01,
52: 0.461200E+01, 53: 0.485200E+01, 54: 0.510000E+01,
55: 0.535900E+01, 56: 0.562400E+01, 57: 0.589100E+01,
58: 0.616500E+01, 59: 0.644100E+01, 60: 0.672200E+01,
61: 0.701300E+01, 62: 0.731200E+01, 63: 0.761800E+01,
64: 0.793100E+01, 65: 0.825200E+01, 66: 0.858100E+01,
67: 0.891900E+01, 68: 0.926500E+01, 69: 0.961800E+01,
70: 0.997800E+01, 71: 0.103490E+02, 72: 0.107390E+02,
73: 0.111360E+02, 74: 0.115420E+02, 75: 0.119570E+02,
76: 0.123840E+02, 77: 0.128240E+02, 78: 0.132730E+02,
79: 0.137330E+02, 80: 0.142090E+02, 81: 0.146980E+02,
82: 0.151980E+02, 83: 0.157080E+02, 84: 0.000000E+00,
85: 0.000000E+00, 86: 0.173340E+02, 87: 0.000000E+00,
88: 0.000000E+00, 89: 0.000000E+00, 90: 0.196920E+02,
91: 0.000000E+00, 92: 0.209470E+02, 93: 0.000000E+00,
94: 0.222630E+02
}
#/* L3-edge energies, in keV */
l3_edge = {
1: 0.000000E+00, 2: 0.000000E+00, 3: 0.000000E+00,
4: 0.000000E+00, 5: 0.000000E+00, 6: 0.000000E+00,
7: 0.000000E+00, 8: 0.000000E+00, 9: 0.000000E+00,
10: 0.000000E+00, 11: 0.000000E+00, 12: 0.492000E-01,
13: 0.725000E-01, 14: 0.992000E-01, 15: 0.135000E+00,
16: 0.162500E+00, 17: 0.200000E+00, 18: 0.248400E+00,
19: 0.294600E+00, 20: 0.346200E+00, 21: 0.398700E+00,
22: 0.453800E+00, 23: 0.512100E+00, 24: 0.574100E+00,
25: 0.638700E+00, 26: 0.706800E+00, 27: 0.778100E+00,
28: 0.855000E+00, 29: 0.932000E+00, 30: 0.102100E+01,
31: 0.111500E+01, 32: 0.121800E+01, 33: 0.132500E+01,
34: 0.143600E+01, 35: 0.155000E+01, 36: 0.167500E+01,
37: 0.180500E+01, 38: 0.194000E+01, 39: 0.208000E+01,
40: 0.222300E+01, 41: 0.237100E+01, 42: 0.252000E+01,
43: 0.267700E+01, 44: 0.283800E+01, 45: 0.300300E+01,
46: 0.317300E+01, 47: 0.335100E+01, 48: 0.353700E+01,
49: 0.373000E+01, 50: 0.392900E+01, 51: 0.413200E+01,
52: 0.434100E+01, 53: 0.455700E+01, 54: 0.478100E+01,
55: 0.501200E+01, 56: 0.524700E+01, 57: 0.548300E+01,
58: 0.572400E+01, 59: 0.596500E+01, 60: 0.620800E+01,
61: 0.646000E+01, 62: 0.671700E+01, 63: 0.697700E+01,
64: 0.724300E+01, 65: 0.751500E+01, 66: 0.779000E+01,
67: 0.807100E+01, 68: 0.835800E+01, 69: 0.864800E+01,
70: 0.894300E+01, 71: 0.924400E+01, 72: 0.956100E+01,
73: 0.988100E+01, 74: 0.102040E+02, 75: 0.105340E+02,
76: 0.108710E+02, 77: 0.112150E+02, 78: 0.115640E+02,
79: 0.119180E+02, 80: 0.122840E+02, 81: 0.126570E+02,
82: 0.130350E+02, 83: 0.134180E+02, 84: 0.000000E+00,
85: 0.000000E+00, 86: 0.146120E+02, 87: 0.000000E+00,
88: 0.000000E+00, 89: 0.000000E+00, 90: 0.163000E+02,
91: 0.000000E+00, 92: 0.171670E+02, 93: 0.000000E+00,
94: 0.180530E+02
}
#/* M-edge energies, in keV */
m_edge = {
1: 0.000000E+00, 2: 0.000000E+00, 3: 0.000000E+00,
4: 0.000000E+00, 5: 0.000000E+00, 6: 0.000000E+00,
7: 0.000000E+00, 8: 0.000000E+00, 9: 0.000000E+00,
10: 0.000000E+00, 11: 0.000000E+00, 12: 0.000000E+00,
13: 0.000000E+00, 14: 0.000000E+00, 15: 0.000000E+00,
16: 0.170000E-01, 17: 0.170000E-01, 18: 0.270000E-01,
19: 0.340000E-01, 20: 0.440000E-01, 21: 0.540000E-01,
22: 0.590000E-01, 23: 0.670000E-01, 24: 0.740000E-01,
25: 0.840000E-01, 26: 0.940000E-01, 27: 0.101000E+00,
28: 0.113000E+00, 29: 0.120000E+00, 30: 0.139000E+00,
31: 0.158000E+00, 32: 0.181000E+00, 33: 0.206000E+00,
34: 0.232000E+00, 35: 0.257000E+00, 36: 0.288000E+00,
37: 0.322000E+00, 38: 0.358000E+00, 39: 0.395000E+00,
40: 0.431000E+00, 41: 0.468000E+00, 42: 0.505000E+00,
43: 0.544000E+00, 44: 0.585000E+00, 45: 0.627000E+00,
46: 0.670000E+00, 47: 0.717000E+00, 48: 0.770000E+00,
49: 0.825000E+00, 50: 0.884000E+00, 51: 0.944000E+00,
52: 0.100600E+01, 53: 0.107200E+01, 54: 0.114300E+01,
55: 0.121800E+01, 56: 0.129300E+01, 57: 0.136300E+01,
58: 0.143400E+01, 59: 0.150800E+01, 60: 0.157500E+01,
61: 0.165100E+01, 62: 0.172900E+01, 63: 0.180000E+01,
64: 0.188200E+01, 65: 0.196700E+01, 66: 0.204600E+01,
67: 0.212700E+01, 68: 0.221200E+01, 69: 0.230700E+01,
70: 0.239800E+01, 71: 0.249200E+01, 72: 0.260200E+01,
73: 0.270300E+01, 74: 0.281800E+01, 75: 0.293100E+01,
76: 0.305000E+01, 77: 0.317200E+01, 78: 0.329700E+01,
79: 0.342500E+01, 80: 0.356200E+01, 81: 0.370000E+01,
82: 0.385000E+01, 83: 0.399900E+01, 84: 0.000000E+00,
85: 0.000000E+00, 86: 0.447800E+01, 87: 0.000000E+00,
88: 0.000000E+00, 89: 0.000000E+00, 90: 0.518200E+01,
91: 0.000000E+00, 92: 0.554900E+01, 93: 0.000000E+00,
94: 0.591400E+01
}
#/* K-alpha1 energies, in keV */
k_alpha1 = {
1: 0.000000E+00, 2: 0.000000E+00, 3: 0.000000E+00,
4: 0.000000E+00, 5: 0.000000E+00, 6: 0.000000E+00,
7: 0.000000E+00, 8: 0.000000E+00, 9: 0.000000E+00,
10: 0.000000E+00, 11: 0.104100E+01, 12: 0.125400E+01,
13: 0.148700E+01, 14: 0.174000E+01, 15: 0.201500E+01,
16: 0.230800E+01, 17: 0.262200E+01, 18: 0.295700E+01,
19: 0.331300E+01, 20: 0.369100E+01, 21: 0.409000E+01,
22: 0.451000E+01, 23: 0.495200E+01, 24: 0.541400E+01,
25: 0.589800E+01, 26: 0.640300E+01, 27: 0.693000E+01,
28: 0.747700E+01, 29: 0.804700E+01, 30: 0.863800E+01,
31: 0.925100E+01, 32: 0.988500E+01, 33: 0.105430E+02,
34: 0.112210E+02, 35: 0.119230E+02, 36: 0.126480E+02,
37: 0.133940E+02, 38: 0.141640E+02, 39: 0.149570E+02,
40: 0.157740E+02, 41: 0.166140E+02, 42: 0.174780E+02,
43: 0.184100E+02, 44: 0.192780E+02, 45: 0.202140E+02,
46: 0.211750E+02, 47: 0.221620E+02, 48: 0.231720E+02,
49: 0.242070E+02, 50: 0.252700E+02, 51: 0.263570E+02,
52: 0.274710E+02, 53: 0.286100E+02, 54: 0.298020E+02,
55: 0.309700E+02, 56: 0.321910E+02, 57: 0.334400E+02,
58: 0.347170E+02, 59: 0.360230E+02, 60: 0.373590E+02,
61: 0.386490E+02, 62: 0.401240E+02, 63: 0.415290E+02,
64: 0.429830E+02, 65: 0.444700E+02, 66: 0.459850E+02,
67: 0.475280E+02, 68: 0.490990E+02, 69: 0.507300E+02,
70: 0.523600E+02, 71: 0.540630E+02, 72: 0.557570E+02,
73: 0.575240E+02, 74: 0.593100E+02, 75: 0.611310E+02,
76: 0.629910E+02, 77: 0.648860E+02, 78: 0.668200E+02,
79: 0.687790E+02, 80: 0.708210E+02, 81: 0.728600E+02,
82: 0.749570E+02, 83: 0.770970E+02, 84: 0.000000E+00,
85: 0.000000E+00, 86: 0.838000E+02, 87: 0.000000E+00,
88: 0.000000E+00, 89: 0.000000E+00, 90: 0.933340E+02,
91: 0.000000E+00, 92: 0.984280E+02, 93: 0.000000E+00,
94: 0.103653E+03
}
#/* K-beta1 energies, in keV */
k_beta1 = {
1: 0.000000E+00, 2: 0.000000E+00, 3: 0.000000E+00,
4: 0.000000E+00, 5: 0.000000E+00, 6: 0.000000E+00,
7: 0.000000E+00, 8: 0.000000E+00, 9: 0.000000E+00,
10: 0.000000E+00, 11: 0.106700E+01, 12: 0.129700E+01,
13: 0.155300E+01, 14: 0.183200E+01, 15: 0.213600E+01,
16: 0.246400E+01, 17: 0.281500E+01, 18: 0.319200E+01,
19: 0.358900E+01, 20: 0.401200E+01, 21: 0.446000E+01,
22: 0.493100E+01, 23: 0.542700E+01, 24: 0.594600E+01,
25: 0.649000E+01, 26: 0.705700E+01, 27: 0.764900E+01,
28: 0.826400E+01, 29: 0.890400E+01, 30: 0.957100E+01,
31: 0.102630E+02, 32: 0.109810E+02, 33: 0.117250E+02,
34: 0.124950E+02, 35: 0.132900E+02, 36: 0.141120E+02,
37: 0.149600E+02, 38: 0.158340E+02, 39: 0.167360E+02,
40: 0.176660E+02, 41: 0.186210E+02, 42: 0.196070E+02,
43: 0.205850E+02, 44: 0.216550E+02, 45: 0.227210E+02,
46: 0.238160E+02, 47: 0.249420E+02, 48: 0.260930E+02,
49: 0.272740E+02, 50: 0.284830E+02, 51: 0.297230E+02,
52: 0.309930E+02, 53: 0.322920E+02, 54: 0.336440E+02,
55: 0.349840E+02, 56: 0.363760E+02, 57: 0.377990E+02,
58: 0.392550E+02, 59: 0.407460E+02, 60: 0.422690E+02,
61: 0.439450E+02, 62: 0.454000E+02, 63: 0.470270E+02,
64: 0.487180E+02, 65: 0.503910E+02, 66: 0.521780E+02,
67: 0.539340E+02, 68: 0.556900E+02, 69: 0.575760E+02,
70: 0.593520E+02, 71: 0.612820E+02, 72: 0.632090E+02,
73: 0.652100E+02, 74: 0.672330E+02, 75: 0.692980E+02,
76: 0.714040E+02, 77: 0.735490E+02, 78: 0.757360E+02,
79: 0.779680E+02, 80: 0.802580E+02, 81: 0.825580E+02,
82: 0.849220E+02, 83: 0.873350E+02, 84: 0.000000E+00,
85: 0.000000E+00, 86: 0.948770E+02, 87: 0.000000E+00,
88: 0.000000E+00, 89: 0.000000E+00, 90: 0.105592E+03,
91: 0.000000E+00, 92: 0.111289E+03, 93: 0.000000E+00,
94: 0.117146E+03
}
#/* L-alpha1 energies, in keV */
l_alpha1 = {
1: 0.000000E+00, 2: 0.000000E+00, 3: 0.000000E+00,
4: 0.000000E+00, 5: 0.000000E+00, 6: 0.000000E+00,
7: 0.000000E+00, 8: 0.000000E+00, 9: 0.000000E+00,
10: 0.000000E+00, 11: 0.000000E+00, 12: 0.000000E+00,
13: 0.000000E+00, 14: 0.000000E+00, 15: 0.000000E+00,
16: 0.000000E+00, 17: 0.000000E+00, 18: 0.000000E+00,
19: 0.000000E+00, 20: 0.000000E+00, 21: 0.000000E+00,
22: 0.000000E+00, 23: 0.000000E+00, 24: 0.000000E+00,
25: 0.000000E+00, 26: 0.000000E+00, 27: 0.000000E+00,
28: 0.000000E+00, 29: 0.000000E+00, 30: 0.100900E+01,
31: 0.109600E+01, 32: 0.118600E+01, 33: 0.128200E+01,
34: 0.141900E+01, 35: 0.148000E+01, 36: 0.158700E+01,
37: 0.169400E+01, 38: 0.180600E+01, 39: 0.192200E+01,
40: 0.204200E+01, 41: 0.216600E+01, 42: 0.229300E+01,
43: 0.242400E+01, 44: 0.255800E+01, 45: 0.269600E+01,
46: 0.283800E+01, 47: 0.298400E+01, 48: 0.313300E+01,
49: 0.328700E+01, 50: 0.344400E+01, 51: 0.360500E+01,
52: 0.376900E+01, 53: 0.393700E+01, 54: 0.411100E+01,
55: 0.428600E+01, 56: 0.446700E+01, 57: 0.465100E+01,
58: 0.484000E+01, 59: 0.503400E+01, 60: 0.543100E+01,
61: 0.563600E+01, 62: 0.584600E+01, 63: 0.605900E+01,
64: 0.627500E+01, 65: 0.649500E+01, 66: 0.672000E+01,
67: 0.694800E+01, 68: 0.718100E+01, 69: 0.718100E+01,
70: 0.741400E+01, 71: 0.765400E+01, 72: 0.789800E+01,
73: 0.814500E+01, 74: 0.839600E+01, 75: 0.865100E+01,
76: 0.891000E+01, 77: 0.917300E+01, 78: 0.944100E+01,
79: 0.971100E+01, 80: 0.998700E+01, 81: 0.102660E+02,
82: 0.105490E+02, 83: 0.108360E+02, 84: 0.000000E+00,
85: 0.000000E+00, 86: 0.117240E+02, 87: 0.000000E+00,
88: 0.000000E+00, 89: 0.000000E+00, 90: 0.129660E+02,
91: 0.000000E+00, 92: 0.136130E+02, 93: 0.000000E+00,
94: 0.142790E+02
}
#/* L-beta1 energies, in keV */
l_beta1 = {
1: 0.000000E+00, 2: 0.000000E+00, 3: 0.000000E+00,
4: 0.000000E+00, 5: 0.000000E+00, 6: 0.000000E+00,
7: 0.000000E+00, 8: 0.000000E+00, 9: 0.000000E+00,
10: 0.000000E+00, 11: 0.000000E+00, 12: 0.000000E+00,
13: 0.000000E+00, 14: 0.000000E+00, 15: 0.000000E+00,
16: 0.000000E+00, 17: 0.000000E+00, 18: 0.000000E+00,
19: 0.000000E+00, 20: 0.000000E+00, 21: 0.000000E+00,
22: 0.000000E+00, 23: 0.000000E+00, 24: 0.000000E+00,
25: 0.000000E+00, 26: 0.000000E+00, 27: 0.000000E+00,
28: 0.000000E+00, 29: 0.000000E+00, 30: 0.103200E+01,
31: 0.112200E+01, 32: 0.121600E+01, 33: 0.131700E+01,
34: 0.137900E+01, 35: 0.152600E+01, 36: 0.163800E+01,
37: 0.175200E+01, 38: 0.187200E+01, 39: 0.199600E+01,
40: 0.212400E+01, 41: 0.225700E+01, 42: 0.239500E+01,
43: 0.253800E+01, 44: 0.268300E+01, 45: 0.283400E+01,
46: 0.299000E+01, 47: 0.315100E+01, 48: 0.331600E+01,
49: 0.348700E+01, 50: 0.366200E+01, 51: 0.384300E+01,
52: 0.402900E+01, 53: 0.422000E+01, 54: 0.442200E+01,
55: 0.462000E+01, 56: 0.482800E+01, 57: 0.504300E+01,
58: 0.526200E+01, 59: 0.548900E+01, 60: 0.595600E+01,
61: 0.620600E+01, 62: 0.645600E+01, 63: 0.671400E+01,
64: 0.697900E+01, 65: 0.724900E+01, 66: 0.752800E+01,
67: 0.781000E+01, 68: 0.810300E+01, 69: 0.810300E+01,
70: 0.840100E+01, 71: 0.870800E+01, 72: 0.902100E+01,
73: 0.934100E+01, 74: 0.967000E+01, 75: 0.100080E+02,
76: 0.103540E+02, 77: 0.107060E+02, 78: 0.110690E+02,
79: 0.114390E+02, 80: 0.118230E+02, 81: 0.122100E+02,
82: 0.126110E+02, 83: 0.130210E+02, 84: 0.000000E+00,
85: 0.000000E+00, 86: 0.143160E+02, 87: 0.000000E+00,
88: 0.000000E+00, 89: 0.000000E+00, 90: 0.162000E+02,
91: 0.000000E+00, 92: 0.172180E+02, 93: 0.000000E+00,
94: 0.182780E+02
}
#/* Atomic weight, in grams/mole */
at_weight = {
1: 0.100800E+01, 2: 0.400300E+01, 3: 0.694000E+01,
4: 0.901200E+01, 5: 0.108110E+02, 6: 0.120100E+02,
7: 0.140080E+02, 8: 0.160000E+02, 9: 0.190000E+02,
10: 0.201830E+02, 11: 0.229970E+02, 12: 0.243200E+02,
13: 0.269700E+02, 14: 0.280860E+02, 15: 0.309750E+02,
16: 0.320660E+02, 17: 0.354570E+02, 18: 0.399440E+02,
19: 0.391020E+02, 20: 0.400800E+02, 21: 0.449600E+02,
22: 0.479000E+02, 23: 0.509420E+02, 24: 0.519960E+02,
25: 0.549400E+02, 26: 0.558500E+02, 27: 0.589330E+02,
28: 0.586900E+02, 29: 0.635400E+02, 30: 0.653800E+02,
31: 0.697200E+02, 32: 0.725900E+02, 33: 0.749200E+02,
34: 0.789600E+02, 35: 0.799200E+02, 36: 0.838000E+02,
37: 0.854800E+02, 38: 0.876200E+02, 39: 0.889050E+02,
40: 0.912200E+02, 41: 0.929060E+02, 42: 0.959500E+02,
43: 0.990000E+02, 44: 0.101070E+03, 45: 0.102910E+03,
46: 0.106400E+03, 47: 0.107880E+03, 48: 0.112410E+03,
49: 0.114820E+03, 50: 0.118690E+03, 51: 0.121760E+03,
52: 0.127600E+03, 53: 0.126910E+03, 54: 0.131300E+03,
55: 0.132910E+03, 56: 0.137360E+03, 57: 0.138920E+03,
58: 0.140130E+03, 59: 0.140920E+03, 60: 0.144270E+03,
61: 0.147000E+03, 62: 0.150350E+03, 63: 0.152000E+03,
64: 0.157260E+03, 65: 0.158930E+03, 66: 0.162510E+03,
67: 0.164940E+03, 68: 0.167270E+03, 69: 0.168940E+03,
70: 0.173040E+03, 71: 0.174990E+03, 72: 0.178500E+03,
73: 0.180950E+03, 74: 0.183920E+03, 75: 0.186200E+03,
76: 0.190200E+03, 77: 0.192200E+03, 78: 0.195090E+03,
79: 0.197200E+03, 80: 0.200610E+03, 81: 0.204390E+03,
82: 0.207210E+03, 83: 0.209000E+03, 84: 0.000000E+00,
85: 0.000000E+00, 86: 0.222000E+03, 87: 0.000000E+00,
88: 0.000000E+00, 89: 0.000000E+00, 90: 0.232000E+03,
91: 0.000000E+00, 92: 0.238070E+03, 93: 0.000000E+00,
94: 0.239100E+03
}
#/* Density, in g/cm^3 */
density = {
1: 0.000089E+00, 2: 0.000179E+00, 3: 0.534000E+00,
4: 0.184800E+01, 5: 0.234000E+01, 6: 0.226000E+01,
7: 0.125000E-02, 8: 0.142900E-02, 9: 0.110800E+01,
10: 0.900000E-03, 11: 0.970000E+00, 12: 0.174000E+01,
13: 0.272000E+01, 14: 0.233000E+01, 15: 0.182000E+01,
16: 0.200000E+01, 17: 0.156000E+01, 18: 0.178400E-02,
19: 0.862000E+00, 20: 0.155000E+01, 21: 0.299200E+01,
22: 0.454000E+01, 23: 0.611000E+01, 24: 0.719000E+01,
25: 0.742000E+01, 26: 0.786000E+01, 27: 0.890000E+01,
28: 0.890000E+01, 29: 0.894000E+01, 30: 0.714000E+01,
31: 0.590300E+01, 32: 0.532300E+01, 33: 0.573000E+01,
34: 0.479000E+01, 35: 0.312000E+01, 36: 0.374000E-02,
37: 0.153200E+01, 38: 0.254000E+01, 39: 0.440500E+01,
40: 0.653000E+01, 41: 0.857000E+01, 42: 0.102200E+02,
43: 0.115000E+02, 44: 0.124100E+02, 45: 0.124400E+02,
46: 0.121600E+02, 47: 0.105000E+02, 48: 0.865000E+01,
49: 0.728000E+01, 50: 0.531000E+01, 51: 0.669100E+01,
52: 0.624000E+01, 53: 0.494000E+01, 54: 0.590000E-02,
55: 0.187300E+01, 56: 0.350000E+01, 57: 0.615000E+01,
58: 0.667000E+01, 59: 0.676900E+01, 60: 0.696000E+01,
61: 0.678200E+01, 62: 0.753600E+01, 63: 0.525900E+01,
64: 0.795000E+01, 65: 0.827200E+01, 66: 0.853600E+01,
67: 0.880300E+01, 68: 0.905100E+01, 69: 0.933200E+01,
70: 0.697700E+01, 71: 0.984200E+01, 72: 0.133000E+02,
73: 0.166000E+02, 74: 0.193000E+02, 75: 0.210200E+02,
76: 0.225000E+02, 77: 0.224200E+02, 78: 0.213700E+02,
79: 0.193700E+02, 80: 0.135460E+02, 81: 0.118600E+02,
82: 0.113400E+02, 83: 0.980000E+01, 84: 0.000000E+00,
85: 0.000000E+00, 86: 0.973000E-02, 87: 0.000000E+00,
88: 0.000000E+00, 89: 0.000000E+00, 90: 0.117000E+02,
91: 0.000000E+00, 92: 0.190500E+02, 93: 0.000000E+00,
94: 0.197000E+02
}
#/* L1-edge jump (Z>27) */
l1_jump = 0.116000E+01;
#/* L2-edge jump (Z>27) */
l2_jump = 0.141000E+01;
#/* L3-edge jump */
l3_jump = {
1: 0.000000E+00, 2: 0.000000E+00, 3: 0.000000E+00,
4: 0.000000E+00, 5: 0.000000E+00, 6: 0.000000E+00,
7: 0.000000E+00, 8: 0.000000E+00, 9: 0.000000E+00,
10: 0.000000E+00, 11: 0.000000E+00, 12: 0.000000E+00,
13: 0.000000E+00, 14: 0.000000E+00, 15: 0.000000E+00,
16: 0.000000E+00, 17: 0.000000E+00, 18: 0.000000E+00,
19: 0.000000E+00, 20: 0.000000E+00, 21: 0.000000E+00,
22: 0.000000E+00, 23: 0.000000E+00, 24: 0.000000E+00,
25: 0.000000E+00, 26: 0.000000E+00, 27: 0.000000E+00,
28: 0.277200E+01, 29: 0.287400E+01, 30: 0.568400E+01,
31: 0.567100E+01, 32: 0.570400E+01, 33: 0.487500E+01,
34: 0.458700E+01, 35: 0.455700E+01, 36: 0.417000E+01,
37: 0.422300E+01, 38: 0.390600E+01, 39: 0.403600E+01,
40: 0.397600E+01, 41: 0.377400E+01, 42: 0.367500E+01,
43: 0.359100E+01, 44: 0.343100E+01, 45: 0.372100E+01,
46: 0.340200E+01, 47: 0.322300E+01, 48: 0.324900E+01,
49: 0.325500E+01, 50: 0.306000E+01, 51: 0.293900E+01,
52: 0.297900E+01, 53: 0.285600E+01, 54: 0.287900E+01,
55: 0.284700E+01, 56: 0.283900E+01, 57: 0.271700E+01,
58: 0.273700E+01, 59: 0.269500E+01, 60: 0.266200E+01,
61: 0.270200E+01, 62: 0.268000E+01, 63: 0.272300E+01,
64: 0.270100E+01, 65: 0.271300E+01, 66: 0.904700E+01,
67: 0.286300E+01, 68: 0.293300E+01, 69: 0.275800E+01,
70: 0.257300E+01, 71: 0.262000E+01, 72: 0.241500E+01,
73: 0.260000E+01, 74: 0.261700E+01, 75: 0.267500E+01,
76: 0.252900E+01, 77: 0.238700E+01, 78: 0.263200E+01,
79: 0.243900E+01, 80: 0.240000E+01, 81: 0.249800E+01,
82: 0.246600E+01, 83: 0.233800E+01, 84: 0.000000E+00,
85: 0.000000E+00, 86: 0.234400E+01, 87: 0.000000E+00,
88: 0.000000E+00, 89: 0.000000E+00, 90: 0.238800E+01,
91: 0.000000E+00, 92: 0.229200E+01, 93: 0.000000E+00,
94: 0.225100E+01
}
#/* Conversion factor (cm^2/g) to (barns/atom) */
conv_fac = {
1: 0.167400E+01, 2: 0.664700E+01, 3: 0.115200E+02,
4: 0.149600E+02, 5: 0.179500E+02, 6: 0.199400E+02,
7: 0.232600E+02, 8: 0.265700E+02, 9: 0.315500E+02,
10: 0.335100E+02, 11: 0.381900E+02, 12: 0.403800E+02,
13: 0.447800E+02, 14: 0.466300E+02, 15: 0.514300E+02,
16: 0.532400E+02, 17: 0.588700E+02, 18: 0.663200E+02,
19: 0.649300E+02, 20: 0.665500E+02, 21: 0.746500E+02,
22: 0.795300E+02, 23: 0.845900E+02, 24: 0.863400E+02,
25: 0.912200E+02, 26: 0.927400E+02, 27: 0.978500E+02,
28: 0.974500E+02, 29: 0.105500E+03, 30: 0.108600E+03,
31: 0.115800E+03, 32: 0.120500E+03, 33: 0.124400E+03,
34: 0.131100E+03, 35: 0.132700E+03, 36: 0.139100E+03,
37: 0.141900E+03, 38: 0.145500E+03, 39: 0.147600E+03,
40: 0.151500E+03, 41: 0.154300E+03, 42: 0.159300E+03,
43: 0.164400E+03, 44: 0.167800E+03, 45: 0.170900E+03,
46: 0.176700E+03, 47: 0.179100E+03, 48: 0.186600E+03,
49: 0.190700E+03, 50: 0.197100E+03, 51: 0.202200E+03,
52: 0.211900E+03, 53: 0.210700E+03, 54: 0.218000E+03,
55: 0.220700E+03, 56: 0.228100E+03, 57: 0.230700E+03,
58: 0.232700E+03, 59: 0.234000E+03, 60: 0.239600E+03,
61: 0.244100E+03, 62: 0.249600E+03, 63: 0.252400E+03,
64: 0.261100E+03, 65: 0.263900E+03, 66: 0.269800E+03,
67: 0.273900E+03, 68: 0.277700E+03, 69: 0.280500E+03,
70: 0.287300E+03, 71: 0.290600E+03, 72: 0.296400E+03,
73: 0.300500E+03, 74: 0.305400E+03, 75: 0.309200E+03,
76: 0.315800E+03, 77: 0.319100E+03, 78: 0.323900E+03,
79: 0.327400E+03, 80: 0.333100E+03, 81: 0.339400E+03,
82: 0.344100E+03, 83: 0.347000E+03, 84: 0.000000E+00,
85: 0.000000E+00, 86: 0.368600E+03, 87: 0.000000E+00,
88: 0.000000E+00, 89: 0.000000E+00, 90: 0.385200E+03,
91: 0.000000E+00, 92: 0.395300E+03, 93: 0.000000E+00,
94: 0.397000E+03
}
#/* K-edge fluorescent yield */
k_yield = {
1: 0.000000E+00, 2: 0.000000E+00, 3: 0.000000E+00,
4: 0.000000E+00, 5: 0.170000E-02, 6: 0.280000E-02,
7: 0.520000E-02, 8: 0.830000E-02, 9: 0.130000E-01,
10: 0.180000E-01, 11: 0.230000E-01, 12: 0.300000E-01,
13: 0.390000E-01, 14: 0.500000E-01, 15: 0.630000E-01,
16: 0.780000E-01, 17: 0.970000E-01, 18: 0.118000E+00,
19: 0.140000E+00, 20: 0.163000E+00, 21: 0.188000E+00,
22: 0.214000E+00, 23: 0.243000E+00, 24: 0.275000E+00,
25: 0.308000E+00, 26: 0.340000E+00, 27: 0.373000E+00,
28: 0.406000E+00, 29: 0.440000E+00, 30: 0.474000E+00,
31: 0.507000E+00, 32: 0.535000E+00, 33: 0.562000E+00,
34: 0.589000E+00, 35: 0.618000E+00, 36: 0.643000E+00,
37: 0.667000E+00, 38: 0.690000E+00, 39: 0.710000E+00,
40: 0.730000E+00, 41: 0.747000E+00, 42: 0.765000E+00,
43: 0.780000E+00, 44: 0.794000E+00, 45: 0.808000E+00,
46: 0.820000E+00, 47: 0.831000E+00, 48: 0.843000E+00,
49: 0.853000E+00, 50: 0.862000E+00, 51: 0.870000E+00,
52: 0.877000E+00, 53: 0.884000E+00, 54: 0.891000E+00,
55: 0.897000E+00, 56: 0.902000E+00, 57: 0.907000E+00,
58: 0.912000E+00, 59: 0.917000E+00, 60: 0.921000E+00,
61: 0.925000E+00, 62: 0.929000E+00, 63: 0.932000E+00,
64: 0.935000E+00, 65: 0.938000E+00, 66: 0.941000E+00,
67: 0.944000E+00, 68: 0.947000E+00, 69: 0.949000E+00,
70: 0.951000E+00, 71: 0.953000E+00, 72: 0.955000E+00,
73: 0.957000E+00, 74: 0.958000E+00, 75: 0.959000E+00,
76: 0.961000E+00, 77: 0.962000E+00, 78: 0.963000E+00,
79: 0.964000E+00, 80: 0.965000E+00, 81: 0.966000E+00,
82: 0.967000E+00, 83: 0.968000E+00, 84: 0.968000E+00,
85: 0.969000E+00, 86: 0.969000E+00, 87: 0.970000E+00,
88: 0.970000E+00, 89: 0.971000E+00, 90: 0.971000E+00,
91: 0.972000E+00, 92: 0.972000E+00, 93: 0.973000E+00,
94: 0.973000E+00
}
#/* L1/L2/L3 fluorescent yields */
l_yield = {
1 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00],
2 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00],
3 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00],
4 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00],
5 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00],
6 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00],
7 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00],
8 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00],
9 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00],
10 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00],
11 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00],
12 : [ 0.290000E-04, 0.120000E-02, 0.120000E-02],
13 : [ 0.260000E-04, 0.750000E-03, 0.750000E-03],
14 : [ 0.300000E-04, 0.370000E-03, 0.380000E-03],
15 : [ 0.390000E-04, 0.310000E-03, 0.310000E-03],
16 : [ 0.740000E-04, 0.260000E-03, 0.260000E-03],
17 : [ 0.120000E-03, 0.240000E-03, 0.240000E-03],
18 : [ 0.180000E-03, 0.220000E-03, 0.220000E-03],
19 : [ 0.240000E-03, 0.270000E-03, 0.270000E-03],
20 : [ 0.310000E-03, 0.330000E-03, 0.330000E-03],
21 : [ 0.390000E-03, 0.840000E-03, 0.840000E-03],
22 : [ 0.470000E-03, 0.150000E-02, 0.150000E-02],
23 : [ 0.580000E-03, 0.260000E-02, 0.260000E-02],
24 : [ 0.710000E-03, 0.370000E-02, 0.370000E-02],
25 : [ 0.840000E-03, 0.500000E-02, 0.500000E-02],
26 : [ 0.100000E-02, 0.630000E-02, 0.630000E-02],
27 : [ 0.120000E-02, 0.770000E-02, 0.770000E-02],
28 : [ 0.140000E-02, 0.860000E-02, 0.930000E-02],
29 : [ 0.160000E-02, 0.100000E-01, 0.110000E-01],
30 : [ 0.180000E-02, 0.110000E-01, 0.120000E-01],
31 : [ 0.210000E-02, 0.120000E-01, 0.130000E-01],
32 : [ 0.240000E-02, 0.130000E-01, 0.150000E-01],
33 : [ 0.280000E-02, 0.140000E-01, 0.160000E-01],
34 : [ 0.320000E-02, 0.160000E-01, 0.180000E-01],
35 : [ 0.360000E-02, 0.180000E-01, 0.200000E-01],
36 : [ 0.410000E-02, 0.200000E-01, 0.220000E-01],
37 : [ 0.460000E-02, 0.220000E-01, 0.240000E-01],
38 : [ 0.510000E-02, 0.240000E-01, 0.260000E-01],
39 : [ 0.590000E-02, 0.260000E-01, 0.280000E-01],
40 : [ 0.680000E-02, 0.280000E-01, 0.310000E-01],
41 : [ 0.940000E-02, 0.310000E-01, 0.340000E-01],
42 : [ 0.100000E-01, 0.340000E-01, 0.370000E-01],
43 : [ 0.110000E-01, 0.370000E-01, 0.400000E-01],
44 : [ 0.120000E-01, 0.400000E-01, 0.430000E-01],
45 : [ 0.130000E-01, 0.430000E-01, 0.460000E-01],
46 : [ 0.140000E-01, 0.470000E-01, 0.490000E-01],
47 : [ 0.160000E-01, 0.510000E-01, 0.520000E-01],
48 : [ 0.180000E-01, 0.560000E-01, 0.560000E-01],
49 : [ 0.200000E-01, 0.610000E-01, 0.600000E-01],
50 : [ 0.370000E-01, 0.650000E-01, 0.640000E-01],
51 : [ 0.390000E-01, 0.690000E-01, 0.690000E-01],
52 : [ 0.410000E-01, 0.740000E-01, 0.740000E-01],
53 : [ 0.440000E-01, 0.790000E-01, 0.790000E-01],
54 : [ 0.460000E-01, 0.830000E-01, 0.850000E-01],
55 : [ 0.490000E-01, 0.900000E-01, 0.910000E-01],
56 : [ 0.520000E-01, 0.960000E-01, 0.970000E-01],
57 : [ 0.550000E-01, 0.103000E+00, 0.104000E+00],
58 : [ 0.580000E-01, 0.110000E+00, 0.111000E+00],
59 : [ 0.610000E-01, 0.117000E+00, 0.118000E+00],
60 : [ 0.640000E-01, 0.124000E+00, 0.125000E+00],
61 : [ 0.660000E-01, 0.132000E+00, 0.132000E+00],
62 : [ 0.710000E-01, 0.140000E+00, 0.139000E+00],
63 : [ 0.750000E-01, 0.149000E+00, 0.147000E+00],
64 : [ 0.790000E-01, 0.158000E+00, 0.155000E+00],
65 : [ 0.830000E-01, 0.167000E+00, 0.164000E+00],
66 : [ 0.890000E-01, 0.178000E+00, 0.174000E+00],
67 : [ 0.940000E-01, 0.189000E+00, 0.182000E+00],
68 : [ 0.100000E+00, 0.200000E+00, 0.192000E+00],
69 : [ 0.106000E+00, 0.211000E+00, 0.201000E+00],
70 : [ 0.112000E+00, 0.222000E+00, 0.210000E+00],
71 : [ 0.120000E+00, 0.234000E+00, 0.220000E+00],
72 : [ 0.128000E+00, 0.246000E+00, 0.231000E+00],
73 : [ 0.137000E+00, 0.258000E+00, 0.243000E+00],
74 : [ 0.147000E+00, 0.270000E+00, 0.255000E+00],
75 : [ 0.144000E+00, 0.283000E+00, 0.268000E+00],
76 : [ 0.130000E+00, 0.295000E+00, 0.281000E+00],
77 : [ 0.120000E+00, 0.308000E+00, 0.294000E+00],
78 : [ 0.114000E+00, 0.321000E+00, 0.306000E+00],
79 : [ 0.107000E+00, 0.334000E+00, 0.320000E+00],
80 : [ 0.107000E+00, 0.347000E+00, 0.333000E+00],
81 : [ 0.107000E+00, 0.360000E+00, 0.347000E+00],
82 : [ 0.112000E+00, 0.373000E+00, 0.360000E+00],
83 : [ 0.117000E+00, 0.387000E+00, 0.373000E+00],
84 : [ 0.122000E+00, 0.401000E+00, 0.386000E+00],
85 : [ 0.128000E+00, 0.415000E+00, 0.399000E+00],
86 : [ 0.134000E+00, 0.429000E+00, 0.411000E+00],
87 : [ 0.139000E+00, 0.443000E+00, 0.424000E+00],
88 : [ 0.146000E+00, 0.456000E+00, 0.437000E+00],
89 : [ 0.153000E+00, 0.468000E+00, 0.450000E+00],
90 : [ 0.161000E+00, 0.479000E+00, 0.463000E+00],
91 : [ 0.162000E+00, 0.472000E+00, 0.476000E+00],
92 : [ 0.176000E+00, 0.467000E+00, 0.489000E+00],
93 : [ 0.187000E+00, 0.466000E+00, 0.502000E+00],
94 : [ 0.205000E+00, 0.464000E+00, 0.514000E+00]
}
#/* Coherent scattering x-section coeff (barns/atom) */
xsect_coh = {
1 : [-0.119075E+00, -0.937086E+00, -0.200538E+00, 0.106587E-01],
2 : [ 0.104768E+01, -0.851805E-01, -0.403527E+00, 0.269398E-01],
3 : [ 0.134366E+01, 0.181557E+00, -0.423981E+00, 0.266190E-01],
4 : [ 0.200860E+01, -0.461920E-01, -0.337018E+00, 0.186939E-01],
5 : [ 0.262862E+01, -0.207916E+00, -0.286283E+00, 0.144966E-01],
6 : [ 0.310861E+01, -0.260580E+00, -0.271974E+00, 0.135181E-01],
7 : [ 0.347760E+01, -0.215762E+00, -0.288874E+00, 0.115131E-01],
8 : [ 0.377239E+01, -0.148539E+00, -0.307124E+00, 0.167303E-01],
9 : [ 0.400716E+01, -0.560908E-01, -0.332017E+00, 0.187934E-01],
10 : [ 0.420151E+01, 0.416247E-01, -0.356754E+00, 0.207585E-01],
11 : [ 0.426374E+01, 0.134662E+00, -0.370080E+00, 0.214467E-01],
12 : [ 0.439404E+01, 0.137858E+00, -0.359540E+00, 0.202380E-01],
13 : [ 0.415995E+01, 0.140549E+00, -0.352441E+00, 0.193692E-01],
14 : [ 0.464678E+01, 0.162780E+00, -0.358563E+00, 0.196926E-01],
15 : [ 0.478525E+01, 0.168708E+00, -0.360383E+00, 0.197155E-01],
16 : [ 0.492707E+01, 0.165746E+00, -0.359424E+00, 0.195505E-01],
17 : [ 0.507222E+01, 0.149127E+00, -0.352858E+00, 0.189439E-01],
18 : [ 0.521079E+01, 0.135618E+00, -0.347214E+00, 0.184333E-01],
19 : [ 0.525587E+01, 0.188040E+00, -0.359623E+00, 0.193085E-01],
20 : [ 0.532375E+01, 0.206685E+00, -0.361664E+00, 0.193328E-01],
21 : [ 0.543942E+01, 0.200174E+00, -0.359064E+00, 0.191027E-01],
22 : [ 0.555039E+01, 0.197697E+00, -0.357694E+00, 0.189866E-01],
23 : [ 0.565514E+01, 0.199533E+00, -0.357487E+00, 0.189691E-01],
24 : [ 0.577399E+01, 0.203858E+00, -0.359699E+00, 0.192225E-01],
25 : [ 0.584604E+01, 0.213814E+00, -0.359718E+00, 0.191459E-01],
26 : [ 0.593292E+01, 0.225038E+00, -0.361748E+00, 0.193024E-01],
27 : [ 0.601478E+01, 0.237959E+00, -0.364056E+00, 0.194754E-01],
28 : [ 0.609024E+01, 0.222770E+00, -0.366568E+00, 0.196586E-01],
29 : [ 0.617739E+01, 0.273123E+00, -0.372360E+00, 0.201638E-01],
30 : [ 0.623402E+01, 0.284312E+00, -0.372143E+00, 0.200525E-01],
31 : [ 0.628298E+01, 0.291334E+00, -0.369391E+00, 0.197029E-01],
32 : [ 0.633896E+01, 0.291512E+00, -0.365643E+00, 0.192896E-01],
33 : [ 0.639750E+01, 0.288866E+00, -0.361747E+00, 0.188788E-01],
34 : [ 0.645637E+01, 0.286737E+00, -0.358794E+00, 0.185618E-01],
35 : [ 0.651444E+01, 0.286324E+00, -0.357027E+00, 0.183557E-01],
36 : [ 0.657113E+01, 0.287711E+00, -0.356311E+00, 0.182470E-01],
37 : [ 0.659750E+01, 0.302389E+00, -0.356755E+00, 0.181706E-01],
38 : [ 0.662203E+01, 0.324559E+00, -0.361651E+00, 0.184800E-01],
39 : [ 0.667096E+01, 0.325070E+00, -0.360613E+00, 0.183326E-01],
40 : [ 0.672275E+01, 0.323964E+00, -0.359463E+00, 0.181890E-01],
41 : [ 0.679013E+01, 0.311282E+00, -0.355233E+00, 0.178231E-01],
42 : [ 0.684600E+01, 0.302790E+00, -0.351131E+00, 0.174403E-01],
43 : [ 0.687599E+01, 0.326165E+00, -0.358969E+00, 0.180482E-01],
44 : [ 0.693136E+01, 0.334794E+00, -0.363497E+00, 0.184429E-01],
45 : [ 0.697547E+01, 0.346394E+00, -0.367794E+00, 0.187885E-01],
46 : [ 0.703216E+01, 0.349838E+00, -0.370099E+00, 0.189983E-01],
47 : [ 0.706446E+01, 0.363456E+00, -0.373597E+00, 0.192478E-01],
48 : [ 0.709856E+01, 0.372199E+00, -0.375345E+00, 0.193481E-01],
49 : [ 0.712708E+01, 0.382082E+00, -0.376855E+00, 0.194151E-01],
50 : [ 0.716085E+01, 0.385512E+00, -0.376481E+00, 0.193305E-01],
51 : [ 0.719665E+01, 0.385543E+00, -0.375054E+00, 0.191608E-01],
52 : [ 0.723460E+01, 0.382493E+00, -0.372715E+00, 0.189194E-01],
53 : [ 0.727415E+01, 0.377223E+00, -0.369728E+00, 0.186280E-01],
54 : [ 0.731469E+01, 0.370315E+00, -0.366280E+00, 0.183025E-01],
55 : [ 0.733490E+01, 0.376825E+00, -0.365713E+00, 0.181843E-01],
56 : [ 0.735812E+01, 0.379361E+00, -0.364099E+00, 0.179817E-01],
57 : [ 0.739532E+01, 0.369895E+00, -0.359376E+00, 0.175406E-01],
58 : [ 0.744255E+01, 0.371328E+00, -0.359642E+00, 0.175852E-01],
59 : [ 0.748347E+01, 0.368431E+00, -0.357689E+00, 0.174099E-01],
60 : [ 0.752334E+01, 0.366462E+00, -0.356048E+00, 0.172620E-01],
61 : [ 0.756222E+01, 0.365055E+00, -0.354511E+00, 0.171214E-01],
62 : [ 0.760020E+01, 0.364134E+00, -0.353086E+00, 0.169894E-01],
63 : [ 0.763711E+01, 0.363957E+00, -0.351900E+00, 0.168783E-01],
64 : [ 0.766938E+01, 0.359752E+00, -0.348899E+00, 0.165890E-01],
65 : [ 0.770798E+01, 0.365345E+00, -0.350031E+00, 0.166927E-01],
66 : [ 0.774188E+01, 0.367107E+00, -0.349433E+00, 0.166273E-01],
67 : [ 0.777470E+01, 0.369722E+00, -0.349132E+00, 0.165862E-01],
68 : [ 0.780643E+01, 0.373226E+00, -0.349147E+00, 0.165710E-01],
69 : [ 0.783711E+01, 0.377547E+00, -0.349441E+00, 0.165780E-01],
70 : [ 0.786662E+01, 0.382933E+00, -0.350126E+00, 0.166173E-01],
71 : [ 0.789137E+01, 0.386034E+00, -0.349756E+00, 0.165480E-01],
72 : [ 0.791803E+01, 0.387021E+00, -0.348881E+00, 0.164406E-01],
73 : [ 0.794534E+01, 0.387299E+00, -0.347926E+00, 0.163230E-01],
74 : [ 0.797266E+01, 0.387704E+00, -0.347155E+00, 0.162372E-01],
75 : [ 0.799940E+01, 0.388739E+00, -0.346726E+00, 0.161751E-01],
76 : [ 0.802574E+01, 0.390458E+00, -0.346658E+00, 0.161455E-01],
77 : [ 0.805150E+01, 0.393143E+00, -0.347052E+00, 0.161570E-01],
78 : [ 0.808084E+01, 0.395790E+00, -0.348032E+00, 0.162345E-01],
79 : [ 0.810524E+01, 0.400576E+00, -0.349340E+00, 0.163264E-01],
80 : [ 0.812542E+01, 0.405858E+00, -0.350329E+00, 0.163772E-01],
81 : [ 0.814399E+01, 0.408692E+00, -0.349802E+00, 0.162880E-01],
82 : [ 0.815996E+01, 0.418031E+00, -0.352330E+00, 0.164660E-01],
83 : [ 0.817489E+01, 0.427916E+00, -0.355068E+00, 0.166601E-01],
84 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00],
85 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00],
86 : [ 0.822553E+01, 0.451478E+00, -0.362056E+00, 0.171556E-01],
87 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00],
88 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00],
89 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00],
90 : [ 0.827843E+01, 0.479056E+00, -0.367657E+00, 0.174621E-01],
91 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00],
92 : [ 0.833010E+01, 0.478314E+00, -0.367250E+00, 0.174129E-01],
93 : [ 0.000000E+00, 0.000000E+00, 0.000000E+00, 0.000000E+00],
94 : [ 0.838174E+01, 0.477085E+00, -0.366556E+00, 0.173422E-01]
}
#/* Incoherent scattering x-section coeff (barns/atom) */
xsect_ncoh = {
1 : [-0.215772E+01, 0.132685E+01, -0.305620E+00, 0.185025E-01],
2 : [-0.256357E+01, 0.202536E+01, -0.448710E+00, 0.279691E-01],
3 : [-0.108740E+01, 0.103368E+01, -0.190377E+00, 0.779955E-02],
4 : [-0.690079E+00, 0.946448E+00, -0.171142E+00, 0.651413E-02],
5 : [-0.791177E+00, 0.121611E+01, -0.239087E+00, 0.117686E-01],
6 : [-0.982878E+00, 0.146693E+01, -0.293743E+00, 0.156005E-01],
7 : [-0.123693E+01, 0.174510E+01, -0.354660E+00, 0.198705E-01],
8 : [-0.173679E+01, 0.217686E+01, -0.449050E+00, 0.264733E-01],
9 : [-0.187570E+01, 0.232016E+01, -0.475412E+00, 0.280680E-01],
10 : [-0.175510E+01, 0.224226E+01, -0.447640E+00, 0.255801E-01],
11 : [-0.967717E+00, 0.161794E+01, -0.287191E+00, 0.131526E-01],
12 : [-0.571611E+00, 0.135498E+01, -0.222491E+00, 0.830141E-02],
13 : [-0.439322E+00, 0.130867E+01, -0.211648E+00, 0.754210E-02],
14 : [-0.414971E+00, 0.134868E+01, -0.222315E+00, 0.841959E-02],
15 : [-0.476903E+00, 0.146032E+01, -0.251331E+00, 0.107202E-01],
16 : [-0.656419E+00, 0.165408E+01, -0.298623E+00, 0.142979E-01],
17 : [-0.718627E+00, 0.174294E+01, -0.319429E+00, 0.158429E-01],
18 : [-0.682105E+00, 0.174279E+01, -0.317646E+00, 0.156467E-01],
19 : [-0.344007E+00, 0.149236E+01, -0.254135E+00, 0.107684E-01],
20 : [-0.982420E-01, 0.132829E+01, -0.213747E+00, 0.773065E-02],
21 : [-0.159831E+00, 0.139055E+01, -0.225849E+00, 0.851954E-02],
22 : [-0.230573E+00, 0.145848E+01, -0.239160E+00, 0.938528E-02],
23 : [-0.308103E+00, 0.152879E+01, -0.252768E+00, 0.102571E-01],
24 : [-0.387641E+00, 0.159727E+01, -0.266240E+00, 0.111523E-01],
25 : [-0.247059E+00, 0.149722E+01, -0.238781E+00, 0.893208E-02],
26 : [-0.342379E+00, 0.157245E+01, -0.253198E+00, 0.985822E-02],
27 : [-0.428804E+00, 0.164129E+01, -0.266013E+00, 0.106512E-01],
28 : [-0.504360E+00, 0.170040E+01, -0.276443E+00, 0.112628E-01],
29 : [-0.570210E+00, 0.175042E+01, -0.284555E+00, 0.116930E-01],
30 : [-0.420535E+00, 0.163400E+01, -0.253646E+00, 0.927233E-02],
31 : [-0.358218E+00, 0.160050E+01, -0.244908E+00, 0.861898E-02],
32 : [-0.334383E+00, 0.160327E+01, -0.245555E+00, 0.871239E-02],
33 : [-0.339189E+00, 0.162535E+01, -0.250783E+00, 0.909103E-02],
34 : [-0.432927E+00, 0.172833E+01, -0.277138E+00, 0.111735E-01],
35 : [-0.448001E+00, 0.176082E+01, -0.285099E+00, 0.117865E-01],
36 : [-0.391810E+00, 0.173010E+01, -0.276824E+00, 0.111280E-01],
37 : [-0.128039E+00, 0.153044E+01, -0.227403E+00, 0.739033E-02],
38 : [ 0.799161E-01, 0.138397E+01, -0.192225E+00, 0.478611E-02],
39 : [ 0.629057E-01, 0.141577E+01, -0.199713E+00, 0.533312E-02],
40 : [ 0.366697E-01, 0.145207E+01, -0.208122E+00, 0.595139E-02],
41 : [ 0.202289E-03, 0.149347E+01, -0.217419E+00, 0.662245E-02],
42 : [-0.562860E-01, 0.155778E+01, -0.233341E+00, 0.785506E-02],
43 : [ 0.757616E-01, 0.144950E+01, -0.204890E+00, 0.564745E-02],
44 : [-0.424981E-01, 0.154639E+01, -0.226470E+00, 0.718375E-02],
45 : [-0.160399E+00, 0.164861E+01, -0.250238E+00, 0.893818E-02],
46 : [-0.267564E+00, 0.173740E+01, -0.269883E+00, 0.103248E-01],
47 : [-0.166475E+00, 0.165794E+01, -0.248740E+00, 0.866218E-02],
48 : [-0.516701E-01, 0.157426E+01, -0.227646E+00, 0.705650E-02],
49 : [-0.817283E-02, 0.155865E+01, -0.224492E+00, 0.685776E-02],
50 : [ 0.142151E-01, 0.155754E+01, -0.224736E+00, 0.691395E-02],
51 : [ 0.156362E-01, 0.157175E+01, -0.228753E+00, 0.726386E-02],
52 : [-0.407579E-01, 0.164267E+01, -0.247890E+00, 0.880567E-02],
53 : [-0.404420E-01, 0.165596E+01, -0.251067E+00, 0.904874E-02],
54 : [-0.282407E-02, 0.164039E+01, -0.247642E+00, 0.882144E-02],
55 : [ 0.184861E+00, 0.150030E+01, -0.213333E+00, 0.624264E-02],
56 : [ 0.344376E+00, 0.138742E+01, -0.186356E+00, 0.424917E-02],
57 : [ 0.409104E+00, 0.133075E+01, -0.170883E+00, 0.304111E-02],
58 : [ 0.439881E+00, 0.130925E+01, -0.164548E+00, 0.252641E-02],
59 : [ 0.449124E+00, 0.130351E+01, -0.161841E+00, 0.227394E-02],
60 : [ 0.437283E+00, 0.131370E+01, -0.162866E+00, 0.229377E-02],
61 : [ 0.405823E+00, 0.133837E+01, -0.167229E+00, 0.255570E-02],
62 : [ 0.355383E+00, 0.137733E+01, -0.174941E+00, 0.306213E-02],
63 : [ 0.280316E+00, 0.144016E+01, -0.188641E+00, 0.401226E-02],
64 : [ 0.273133E+00, 0.143842E+01, -0.186137E+00, 0.375240E-02],
65 : [ 0.257539E+00, 0.145064E+01, -0.187591E+00, 0.379932E-02],
66 : [ 0.242685E+00, 0.146266E+01, -0.189102E+00, 0.385628E-02],