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--- anisotropic_hkl [2014/08/06 13:51] – created carlospaivasantos
+++ anisotropic_hkl [2022/11/03 15:08] (current) – external edit 127.0.0.1
@@ 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.]]
+Sometimes it works better than the spherical harmonics broadening.
+Works OK for low symmetry.
+Copy the lines bellow and paste in the "inp" file.
+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_0k0 200 min .3
+     prm lor1_00l 200 min .3
+     prm lor1_hk0 200 min .3
+     prm lor1_h0l 200 min .3
+     prm lor1_0kl 200 min .3
+     prm lor1_hkl 200 min .3
+     prm gauss1_h00 200 min .3
+     prm gauss1_0k0 200 min .3
+     prm gauss1_00l 200 min .3
+     prm gauss1_hk0 200 min .3
+     prm gauss1_h0l 200 min .3
+     prm gauss1_0kl 200 min .3
+     prm gauss1_hkl 200 min .3
+     prm = 1 / IB_from_CS(gauss1_h00, lor1_h00); : 50 'LVol H00
+     prm = 0.89 / Voigt_FWHM_from_CS(gauss1_h00, lor1_h00); : 50 'L_FWHM_H00
+     prm = 1 / IB_from_CS(gauss1_0k0, lor1_0k0); : 50 'LVol 0K0
+     prm = 0.89 / Voigt_FWHM_from_CS(gauss1_0k0, lor1_0k0); : 50 'L_FWHM_0K0
+     prm = 1 / IB_from_CS(gauss1_00l, lor1_00l); : 50 'LVol H00
+     prm = 0.89 / Voigt_FWHM_from_CS(gauss1_00l, lor1_00l); : 50 'L_FWHM_00L
+     prm = 1 / IB_from_CS(gauss1_hk0, lor1_hk0); : 50 'LVol HK0
+     prm = 0.89 / Voigt_FWHM_from_CS(gauss1_hk0, lor1_hk0); : 50 'L_FWHM_HK0
+     prm = 1 / IB_from_CS(gauss1_h0l, lor1_h0l); : 50 'LVol H0L
+     prm = 0.89 / Voigt_FWHM_from_CS(gauss1_h0l, lor1_h0l); : 50 'L_FWHM_H0L
+     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 = 1 / IB_from_CS(gauss1_hkl, lor1_hkl); :  50 ' LVol HKL
+     prm = 0.89 / Voigt_FWHM_from_CS(gauss1_hkl, lor1_hkl); :  50 ' LVol_FWHM
+     lor_fwhm =
+     (0.1 Rad Lam / Cos(Th)) /
+     IF And(H == 0, L == 0) THEN
+     lor1_0k0
+     ELSE IF And(K == 0, L == 0) THEN
+     lor1_h00
+     ELSE IF And(H == 0, K == 0) THEN
+     lor1_00l
+     ELSE IF And(H == 0) THEN
+     lor1_0kl
+     ELSE IF And(K == 0) THEN
+     lor1_h0l
+     ELSE IF And(L == 0) THEN
+     lor1_hk0
+     ELSE
+     lor1_hkl
+     ENDIF
+     ENDIF
+     ENDIF
+     ENDIF
+     ENDIF
+     ENDIF   ;
+     gauss_fwhm =
+     (0.1 Rad Lam / Cos(Th)) /
+     IF And(H == 0, L == 0) THEN
+     gauss1_0k0
+     ELSE IF And(K == 0, L == 0) THEN
+     gauss1_h00
+     ELSE IF And(H == 0, K == 0) THEN
+     gauss1_00l
+     ELSE IF And(H == 0) THEN
+     gauss1_0kl
+     ELSE IF And(K == 0) THEN
+     gauss1_h0l
+     ELSE IF And(L == 0) THEN
+     gauss1_hk0
+     ELSE
+     gauss1_hkl
+     ENDIF
+     ENDIF
+     ENDIF
+     ENDIF
+     ENDIF
+     ENDIF   ;
+=============================================================