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stephens_peakshape [2019/07/25 15:11]
johnsoevans
stephens_peakshape [2019/07/25 15:13] (current)
johnsoevans
Line 9: Line 9:
 eta term allows mixture of Gauss/​Lorentz broadening. eta term allows mixture of Gauss/​Lorentz broadening.
  
-Built in macros ​are for: +Built in macros for different point groups are
 +<code topas>
 Stephens_triclinic (-1) Stephens_triclinic (-1)
- 
 Stephens_monoclinic (2/m) Stephens_monoclinic (2/m)
- 
 Stephens_orthorhombic (mmm) Stephens_orthorhombic (mmm)
- 
 Stephens_tetragonal_low (4/m) Stephens_tetragonal_low (4/m)
- 
 Stephens_tetragonal_high (4/mmm) Stephens_tetragonal_high (4/mmm)
- 
 Stephens_trigonal_low (-3) Stephens_trigonal_low (-3)
- 
 Stephens_trigonal_high (-3m1) Stephens_trigonal_high (-3m1)
- 
 Stephens_trigonal_high_2 (-31m) Stephens_trigonal_high_2 (-31m)
- 
 Stephens_hexagonal (6/m and 6/mmm) Stephens_hexagonal (6/m and 6/mmm)
- 
 Stephens_cubic (m-3 and m-3m) 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 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):+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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