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Hi Tom,
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<div>PowderN (which you to my understanding are using?) does not directly implement temperature - you will have to generate separate structure input files for each temperature.</div>
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<div>How to do this? - I guess it dependes on the software or source used to generate the .lau files. Personally, I would look at e.g. the ICSD database and find a series of experimental data and solved structures at different temperature, then use these to
generate a series of lau files for McStas, one for each temperature.</div>
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<div>Alternatively one <i>could</i> hack the PowderN component source code to implement some sort of temperature-dependence of the lattice parameters, but for now, there is not much implemented directly in McStas for studying these kinds of effects.</div>
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<div>Best,</div>
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<div>Peter</div>
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<div>On Jun 7, 2013, at 04:18 , 陈彦舟 <<a href="mailto:wokaoyan1981@126.com">wokaoyan1981@126.com</a>> wrote:</div>
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<div>Hi all,</div>
<div> I found that generating lau. or laz. files should consider the temperature effect.</div>
<div> My question is how will the temperature factor affect the simulation result? Can we set it to 0? Or how much should we set the value?</div>
<div> </div>
<div>Best regards,</div>
<div>Tom</div>
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