NAME

mucal - A subroutine to calculate x-ray crossections

AUTHOR

Pathikrit Badyopadhyay

REFERENCE

 (1) W. H. McMaster et.al, Compilation of X-ray Cross Sections, National
     Bureau of Standards, for calculation of x-ray cross sections.
 (2) M. O. Krause, J. Phys. Chem. Ref. Data. 8, 307(1979), for Fluorescence
     yield data

ACKNOWLEDGMENTS

  Dr. B. A. Bunker, Dr. Q. T. Islam, B. I. Boaynov for their helpful
   suggestions.
  Dr. M. Zanabria  for helping in typing the data in.
  Dr. B. A. Bunker and Dr. Anne Tabor-Morris for subsequent modifications.

DISCLAIMER

This program is freeware . You may freely copy and redistribute it.
Permission is granted to modify the source for your own purposes.
Please DO NOT REMOVE the first comment block.

There are absolutely NO WARRANTY on this program. The author takes no
responsibility for any damage caused by this program. The author takes
no responsibility for time lost if incorrect or misleading results are
produced by this program. If a warranty is required by law where you
intend to use this software permission to use this software there is
revoked.

INTRODUCTION


	Mucal is a fortran subroutine that calculates and supplies xray
        properties of materials. It uses the coefficients listed in ref.
        (1) to calculate the crosssections.

USAGE

	To call the subroutine use:

      call mucal(en,name,z,unit,xsec,energy,fly,erf,er)

where,

variable	description
--------	-----------------------------------------------
en		Energy at which x-section to be calculated.  Real.

name		Name of material. Character of length 2.

z		Atomic number of material. Integer.

unit		Unit to be used for x-sections. Character of length 1.

xsec		Array of x-sections. Real, 10 elements.
xsec(1)		Photoelectric x-section 
xsec(2)		Coherent x-section	
xsec(3)		Incoherent x-section 
xsec(4)		Total x-section         
xsec(5)		Conversion factor       
xsec(6)		Absorption coefficient  
xsec(7)		Atomic weight           
xsec(8)		Density                 
xsec(9)		l2-edge jump            
xsec(10)	l3-edge jump            

energy		Various edge energies. Real, 9 elements
energy(1)	k-edge energy  
energy(2)	l1-edge energy 
energy(3)	l2-edge energy 
energy(4)	l3-edge energy 
energy(5)	m-edge energy  
energy(6)	k-alpha1       
energy(7)	k-beta1        
energy(8)	l-alpha1       
energy(9)	l-beta1

fly		Fluorescence yield. Real, 4 elements
fly(1)		k fluorescence yield  
fly(2)		l1 fluorescence yield 
fly(3)		l2 fluorescence yield 
fly(4)		l3 fluorescence yield 

erf		error flag, logical.

er	error code. integer. it can have the following values.
1	energy input is zero                                
2	name does not match supplied z                        
3	no documentation for given element (z<94)           
4	no documentation for given element (z>94)           
5	l-edge calculation may be wrong for z<30 as mcmaster uses
 	l1 only
6	energy in the middle of edge
7	no name or z supplied       


NOTES:

en		en > 0 for x-sections and en < 0 for edge energy
name		if both name and z supplied they should match
z		if both name and z supplied they should match
unit		unit=c => cm^2/gm; unit=b => barns/atom
conversion	barns/atom = (conversion factor) * (cm^2/g)
factor	  
 	 
subroutine	upcase.f. Supplied.
needed