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.