How to visualize forces on atoms from a computed structure(Force-View)

  • CINEMAS can visualize the forces(‘TOTAL-FORCE’ from OUTCAR file for VASP code) directly from the output files.

  • From a workflow containing valid files, if a structure is visualized in CINEMAS-view.

  • One can go to Force-view tab in Style option on the right side of the CINEMAS-view window.

  • If workflow contains an erroneous calculation, CINEMAS will not find any valid forces, and Mag-view category will remain disabled.

  • Appearance of arrows can be customized collectively, for individual species.

  • Arrow/tip length/radius can be scaled.

  • Arrow/tip color can be changed.

  • Additionally, by double-click on an arrow, displays the value of the force-vector for a particular species.

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Fig. 72 ‘Force-view’ in CINEMAS-view, visualizing forces on a computed structure.

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Fig. 73 Double-click on an arrow displays the vector representing the force on a species.

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Fig. 74 Color properties, arrow/tip length or radius can be changed as per user-requirements.

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Fig. 75 Force-view category in the Style options within CINEMAS-view. Different properties can be controlled from here.

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Fig. 76 Atom-resolved properties can also be set for ‘force-arrows’.

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Fig. 77 An example of a workflow containing only input files. So OUTCAR is not present and Force-view category is disabled automatically.

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Fig. 78 An example where the workflow contains valid and complete calculation, but forces are Zero. Category is enabled, but no arrows are displayed in this case.