3.4.2. 電子密度圖的顯示(OLEX2使用手冊)
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.
譯文如下:
3.4.2. 電子密度圖的顯示
二維電子密度圖可以通過以下控件進行操作:
展開/收縮:Ctrl+鼠標右鍵
級別更改:Shift+鼠標右鍵(僅限Contour視圖)
Z更改:Ctrl+鼠標左鍵
xgrid.PlaneSize():打印或設置平面尺寸。該平面的默認值為128×128像素,如果你有高性能的顯卡,則可以將該值設置為256、512、1024或其他數(shù)值。當電子密度圖視角為2D投影時,“direction”指令將打印電子密度圖的中心位置(通常顯示在左上角的一串信息)。由于電子密度圖深度是由電子密度圖切割當前視圖法線的距離表示的,因此要將其定位于任何特定的晶體學位置都不是很容易。然而,有一種方法可以更改電子密度圖中心,使其在任意晶體學方向上切割一個特定的值。這可以通過使用xgrid.Depth(a,b,c)指令實現(xiàn)。例如,若需要顯示以a/2切割晶胞的等高線圖,可以使用以下指令:
>>matr -r 1
用于設置當前視圖沿倒易a軸(即1/a軸)
>>xgrid.Depth(0.5,0,0)
將電子密度圖深度設置為當前視圖法線上的長度a/2矢量切割
本文輔助視頻如下:
Olex2視頻教程——Olex2中的電子密度圖(以Co110為例)
https://www.bilibili.com/video/BV1Yb411E72o
Olex2繪圖示例5(電子密度圖)
https://www.bilibili.com/video/BV1VK4y1Q7wJ
公眾號文章鏈接:
https://mp.weixin.qq.com/s?__biz=MzU0NjkzMTM1MQ==&mid=2247485309&idx=8&sn=f4fa17bd66180c86609501a1be1f35a2&chksm=fb575085cc20d9937a0a66054f4e9bdf4f37cbe1439267479af6c4dda7b39240d63ba5eb56a0&token=1550724737&lang=zh_CN#rd
