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stephens_peakshape [2011/02/11 14:45]
johnsoevans
stephens_peakshape [2019/07/25 15:13] (current)
johnsoevans
Line 7: Line 7:
 An alternative approach to spherical harmonics for hkl dependent peak shapes by  An alternative approach to spherical harmonics for hkl dependent peak shapes by 
 Peter Stephens (P.W. Stephens, J. Appl. Cryst. (1999) 32, 281-9) as coded in gsas.  Peter Stephens (P.W. Stephens, J. Appl. Cryst. (1999) 32, 281-9) as coded in gsas. 
-eta term allows mixture of Gauss/​Lorentz broadening:+eta term allows mixture of Gauss/​Lorentz broadening.
  
-As an example try the following in your input file (macros you need are below):+Built in macros for different point groups are: 
 +<code topas> 
 +Stephens_triclinic (-1) 
 +Stephens_monoclinic (2/m) 
 +Stephens_orthorhombic (mmm) 
 +Stephens_tetragonal_low (4/m) 
 +Stephens_tetragonal_high (4/mmm) 
 +Stephens_trigonal_low (-3) 
 +Stephens_trigonal_high (-3m1) 
 +Stephens_trigonal_high_2 (-31m) 
 +Stephens_hexagonal (6/m and 6/mmm) 
 +Stephens_cubic (m-3 and m-3m) 
 +</​code>​ 
 + 
 +Note that for all trigonal Laue classes the macros assume the hexagonal setting of the unit cell 
 + 
 +As an example try the following in your input file (macros you need are below).  Look in topas.inc to double-check the format of macros:
  
 <code topas>​prm s400 11769.84126` <code topas>​prm s400 11769.84126`

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