3.4.2. 电子密度图的显示(OLEX2使用手册)
原文如下:
Working with the Maps display
The 2D map can be operated by the following controls:
Expand/Shrink – Ctrl + right mouse button
Level change – Shift + right mouse button (only in the Contour view)
Z change – Ctrl + left mouse button
xgrid.PlaneSize() - prints or sets the plane size. The default value of the plane - is the 128x128 pixels, if you have a high performing graphics card, you can set the value to 256, 512, 1024 or other power of two values. When a map is viewed as a 2D projection, the 'direction' command prints the location of the center of the map (as well as the information string, normally appearing in the left to corner). Since map depth value is represented by the distance the map cuts on the current view normal, it is not very easy to position it at any particular crystallographic location. However there is a way to change the map center so that it cuts a specific value on any crystallographic direction. This can be achieved by the us of the xgrid.Depth(a,b,c) command. For example, if the one needs to show the contour map which cuts the cell at a/2, the following command can be used:
>>matr -r 1
to set current view along the reciprocal a axis
>>xgrid.Depth(0.5,0,0)
to set the map depth to the length a/2 vector cuts on current view normal.
译文如下:
3.4.2. 电子密度图的显示
二维电子密度图可以通过以下控件进行操作:
展开/收缩:Ctrl+鼠标右键
级别更改:Shift+鼠标右键(仅限Contour视图)
Z更改:Ctrl+鼠标左键
xgrid.PlaneSize():打印或设置平面尺寸。该平面的默认值为128×128像素,如果你有高性能的显卡,则可以将该值设置为256、512、1024或其他数值。当电子密度图视角为2D投影时,“direction”指令将打印电子密度图的中心位置(通常显示在左上角的一串信息)。由于电子密度图深度是由电子密度图切割当前视图法线的距离表示的,因此要将其定位于任何特定的晶体学位置都不是很容易。然而,有一种方法可以更改电子密度图中心,使其在任意晶体学方向上切割一个特定的值。这可以通过使用xgrid.Depth(a,b,c)指令实现。例如,若需要显示以a/2切割晶胞的等高线图,可以使用以下指令:
>>matr -r 1
用于设置当前视图沿倒易a轴(即1/a轴)
>>xgrid.Depth(0.5,0,0)
将电子密度图深度设置为当前视图法线上的长度a/2矢量切割
本文辅助视频如下:
Olex2视频教程——Olex2中的电子密度图(以Co110为例)
https://www.bilibili.com/video/BV1Yb411E72o
Olex2绘图示例5(电子密度图)
https://www.bilibili.com/video/BV1VK4y1Q7wJ
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