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d [2009/08/06 15:35]
clare
d [2020/07/16 11:29]
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-====== d ====== 
  
-**[//​default_I_attributes//​ E]** 
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-Changes the attributes of the //I// parameter, for example, xo_Is default_I_attributes 0 min 0.001 val_on_continue 1 Useful when randomising lattice parameters during Le Bail refinements with //​continue_after_convergence//​. 
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-**[//​d_Is//​]... [//d// E //I// E]...** 
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-Defines a phase type that uses d-spacing values for generating peak positions. //d// corresponds to the peak position in d-space in Å and //I// is the intensity parameter before applying any //​scale_pks//​ equations. 
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-**[//​do_errors//​]** 
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-Errors for refined parameters (ESD'​s) and a correlation matrix are calculated at the end of refinement. The correlation matrix if defined using //​C_matrix_normalized//​is updated, if not defined then //​C_matrix_normalized//​is automatically defined and appeneded to the OUT file. 
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-**[//​d_spacing_to_energy_in_eV_for_f1_f11//​ !E]** 
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-Can be a function of the reserved parameter D_spacing. Changes f' and f" (see section 7.1) to correspond to energies as given by //​d_spacing_to_energy_in_eV_for_f1_f11//​. Used for refining on energy dispersive data, for example, ' E(eV) = 10^5 / (8.065541 Lambda(A)) prm !detector_angle_in_radians = 7.77 Deg_on_2; prm wavelength = 2 D_spacing Sin(detector_angle_in_radians);​ prm energy_in_eV = 10^5 / (8.065541 wavelength);​ pk_xo = 10^-3 energy_in_eV + zero; d_spacing_to_energy_in_eV_for_f1_f11 = energy_in_eV;​ 
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-See example ED_SI_STR.INP. 

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