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anisotropic_hkl [2014/08/06 14:51]
carlospaivasantos created
anisotropic_hkl [2015/09/18 19:49] (current)
carlospaivasantos
Line 1: Line 1:
 Anisotropic broadening correction with more hkl options added from  [[http://​www.mail-archive.com/​rietveld_l%40ill.fr/​msg04645.html| the Alan Coelho reply of 31Oct2008 in the Rietveld List.]] Anisotropic broadening correction with more hkl options added from  [[http://​www.mail-archive.com/​rietveld_l%40ill.fr/​msg04645.html| the Alan Coelho reply of 31Oct2008 in the Rietveld List.]]
 Sometimes it works better than the spherical harmonics broadening. ​ Sometimes it works better than the spherical harmonics broadening. ​
 +
 +Works OK for low symmetry.
  
 Copy the lines bellow and paste in the "​inp"​ file. Copy the lines bellow and paste in the "​inp"​ file.
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 If you need to apply the correction to another phase, replace lor1 for lor2 and gauss1 for gauss2, etc. If you need to apply the correction to another phase, replace lor1 for lor2 and gauss1 for gauss2, etc.
  
 +===============================================================
      prm lor1_h00 200 min .3      prm lor1_h00 200 min .3
      prm lor1_0k0 200 min .3      prm lor1_0k0 200 min .3
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      prm = 1 / IB_from_CS(gauss1_0kl,​ lor1_0kl); : 50 'LVol 0KL      prm = 1 / IB_from_CS(gauss1_0kl,​ lor1_0kl); : 50 'LVol 0KL
      prm = 0.89 / Voigt_FWHM_from_CS(gauss1_0kl,​ lor1_0kl); : 50 '​L_FWHM_0KL      prm = 0.89 / Voigt_FWHM_from_CS(gauss1_0kl,​ lor1_0kl); : 50 '​L_FWHM_0KL
-     prm = 1 / IB_from_CS(gauss1_hkl,​ lor1_hkl); :  50 ' ​This is LVol HKL +     prm = 1 / IB_from_CS(gauss1_hkl,​ lor1_hkl); :  50 ' LVol HKL 
-     prm = 0.89 / Voigt_FWHM_from_CS(gauss1_hkl,​ lor1_hkl); :  50 ' ​This is LVol_FWHM+     prm = 0.89 / Voigt_FWHM_from_CS(gauss1_hkl,​ lor1_hkl); :  50 ' LVol_FWHM
            
      ​lor_fwhm =      ​lor_fwhm =
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      ​ENDIF ​   ​      ​ENDIF ​   ​
      ​ENDIF ​  ; ​      ​ENDIF ​  ; ​
-     +============================================================= ​    
  

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