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Dear Dimitri,
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<div class="">On 30 Sep 2018, at 15.19, Дима Шапиро <<a href="mailto:shapirod@mail.ru" class="">shapirod@mail.ru</a>> wrote:</div>
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<div class="">I have a question concerning Debye-Waller factor in the component PowderN. What should I substitude here?
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In manual it's written that DW factor is exp(-2W). Is this W the same as thermal parameter B, which is connected with<span class="text_mailru_css_attribute_postfix" style="" data-mce-style="color: #000000;" lang="en"> root-mean square diversion from equilibrium
of atoms <u^2>?<br class="">
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<div>Yes, it is my understanding that this is the case.</div>
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<div class=""><span class="text_mailru_css_attribute_postfix" style="" data-mce-style="color: #000000;" lang="en">How should I take into account dependence of DW on scattering vector q (i.e. on scattering angle)?
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<div class="">I had a look in our distributed datafiles of which none currently has an explicit column defined for DW, my understanding is therefore that this factor is typically included in the |F^2| column.</div>
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<div class="">If you believe this is not the case in the datafile you are using, you could try to experiment with adding a DW column in the datafile and either this in the header:</div>
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<div class=""><span class="Apple-tab-span" style="white-space:pre"></span>#column_DW 16</div>
<div class=""><span class="Apple-tab-span" style="white-space:pre"></span>(16 of course needs replacement with whatever column number you have)</div>
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<div class="">or using the format specifier, i.e.</div>
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<div class=""><span class="Apple-tab-span" style="white-space:pre"></span>format={j,d,F2,DW,delta_d_d/d,1/2d,q,F,Strain}</div>
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<div class="">where all of the above numbers in the curly brackets refer to column indices in your file.</div>
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<div class="">Best and hope this helps,</div>
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<div class="">Peter Willendrup</div>
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