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【求助】请问电荷密度的2d，3d显示如何做
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请问Castep中电荷密度的2d，3d显示如何做啊！急 [ Last edited by lei0736 on 2008-3-10 at 12:58 ] |
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4楼2008-03-10 12:10:31
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To create a density field 1.Choose Modules | CASTEP | Analysis from the menu bar to open the CASTEP Analysis dialog. 2.Select Electron density from the list of properties. 3.Ensure that the 3D Atomistic document to be analyzed is the active document. 4.For spin-polarized calculations, select the type of field required from the Density field dropdown list. 5. Optionally, check the View isosurface on import checkbox to automatically create an isosurface when the potential field is imported. 6. Press the Import button. Field visualizationVolume Visualization toolbar and Field, Isosurface, and Slice tabs on the Display Style dialog. The Volume Visualization toolbar provides access to the Volumetric Selection dialog, which enables you to specify the field to be visualized and set visibility attributes for fields, slices, and isosurfaces. This toolbar also contains controls for creating new isosurfaces and slices, including the shortcuts for orienting the slice based on either the cell axes or the coordinates of selected atoms. The Color Maps dialog, which can also be accessed from the Volume Visualization toolbar, provides control over the coloring of volumetric objects (it also provides useful shortcuts for determining the minimum and maximum values of the field). The Field tab of the Display Style dialog allows you to visualize the field directly using either the Dots or Volume display styles. The Isosurface tab of the Display Style dialog allows you to alter the visualization style of a selected isosurface, change its isovalue, or use another field for color mapping. The Slice tab of the Display Style dialog allows you to alter the visualization style of a selected slice. |
2楼2008-03-04 14:48:22
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3楼2008-03-04 14:49:39