Testing MindLab

Here are several easy steps to start working with the MindLab and check whether it is properly installed on your computer:
 
(i) Press Windows Start button and click MStudio MindLab icon from the Programs folder. The application main frame window will appear on your screen.
 
(ii) Make sure that BandLab library is linked to MStudio (if not, use Project/Configuration dialog box to connect it.)
 
(iii) Click on to Project menu, and press Bands Window command. A MindLab control window Bands 01 will appear within the main frame window.
 
(iv) Press Database button from the top right part of the Bands window.
 
(v) Chose catalog Tight-Binding, project CuO2, and click Load button.
The input for computing tight-binding band structure of CuO2 plane will be loaded into the Bands window. Please note that if you are using a DEMO version, the program will restrict you to work with 1 atom per cell only. Please take example S from the catalog Tight-Binding in this case. You may also load any of examples for 3d,4d, etc. metals which have 1 atom in the unit cell.
 
(vi) Go to Properties page of the Bands window, turn radio button Find Property to the ON position, chose property Fat Bands from the drop-down list.
 
(vii) Press Compute button. The computation process should be seen in the lower part of the Bands window. For this, you might need to enlarge the lower part of the window using a split bar.
 
(viii) When computation is finished, a dialog window will appear asking whether visualization of the results is desired. Answer YES which will call Visualize Properties dialog box.
 
(ix) Click Visulaize Using Currently Selected Options button located at the bottom of the Visualize Properties dialog box. A plot page with one-electron band structure will appear on your screen.
 
(x) If you like to see partial characters, go back to the Visualize Properties dialog box, open Atom Data tree item, and chose an orbital you want to be seen in the band structure. It could, for example, be Cu@1::3d{x2-y2} orbital in the example of CuO2. Open a tree item called "E(k) 01" within "E(k) Page of Bands 01" in "Plot Pages" folder. Drug orbital item and drop it in the E(k) 01 tree item. You should see that Cu@1::3d{x2-y2} item appears as a child item inside "E(k) 01". Click Visulaize Using Currently Selected Options button located at the bottom of the Visualize Properties dialog box. The plot page with one-electron band structure will be redrawn to show the partial character of the orbital choosen.