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Tutorial for Cluster scattering tool. Before computing a scattering pattern, you must save the finite object in a file called clus.dat. This is done with.

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Presentation on theme: "Tutorial for Cluster scattering tool. Before computing a scattering pattern, you must save the finite object in a file called clus.dat. This is done with."— Presentation transcript:

1 Tutorial for Cluster scattering tool

2 Before computing a scattering pattern, you must save the finite object in a file called clus.dat. This is done with the Edit finite tool. (1) Select (2) Depress

3 Finite object is C60. It can be anything, even glassy and include thousands of atoms (1) Select This operation writes the object into a file called clus.dat in the indicated directory. (2) Depress

4 After the finite object is written to disk, we access the Scattering tool, either X-ray scattering or Electron scattering.

5 Type to point to the directory you want Type And then depress

6 Double-click on batch file After the computation, a MS EXCEL file called WRAPUP.XLS appears Double click on it (you must have MS Office installed)

7 Data can be processed further within Excel for overall thermal motion, for Lorentz-polarization, for 2-θ rather than R* etc. Graph Calculation was performed with Debye (1915) formula Time can range from split-second like here to hours for thousands of atoms Data

8 End of tutorial for cluster scattering tool


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