<div>Dear All, </div>
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<div>During Quickstep calculations(with GPW), I calculated X-Ray structure factor by simply including</div>
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<div>...</div>
<div>    &PRINT<br>      &XRAY_DIFFRACTION_SPECTRUM<br>          &EACH<br>            MD 50<br>          &END<br>      &END<br>    &END</div>
<div>...</div>
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<div>Am I right? </div>
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<div>Sincerely, Yunfeng<br></div>