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lapw3 calculates static X-ray structure factors, so they can be
directly compared to the experimental ones.<br>
<br>
PS: Often, it gives better agreement, when you just take the valence
structrure factors and add the core strucutre factors from atomic
HF-theory (after all, this is how experimental structure factors
are refined).<br>
<br>
<br>
<div class="moz-cite-prefix">Am 30.10.2015 um 22:40 schrieb Bruno
Landeros:<br>
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<div dir="ltr">Dear all:
<div><br>
</div>
<div>How can I transform the data obtained from a lapw3
calculation in order to compare the DFT theoretical structure
factors with the experimental (static) ones? </div>
<div><br>
</div>
<div>Thanks in advance,</div>
<div><br>
</div>
<div>Bruno L </div>
</div>
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