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Option 4 of the density menu

This only works with CASTEP and CETEP. It is similar to the general density options considered above, however, only some of the applications are supported as shown in the menu below:

............. Choose an option ...............

NUMBER OF THE CURRENT PLOT: 1

NUMBER OF THE CURRENT GROUP: 1

Current group of bands is: 1 - 8

1. Read in the density

2. Plot density along a line

3. Plot density in a plane

4. Print the partial density to dens1_1 as (grX,grY,grZ,density)

5. Amount of charge inside a sphere

6. Exploration of the density

7. Dipole moment

8. Quadrupole moment

10. Quit

It is possible to have several groups of bands in the file and work only with a single group at a time.


next up previous contents
Next: General linear combination of Up: Studying the partial or Previous: Option 55 of the   Contents
Lev Kantorovich 2006-05-08