INSTRUCTIONS FOR DAY 1, EXERCISE 2


Note that the following color code has been used in this instruction sheet:

Broad headings are in red.

File names are in magenta,

Phrases to be typed into the command line are in blue.

Input parameters are in dark green.


In this exercise, we will examine some of the 'post-processing' that you can do once you have run your scf calculations.

In the previous exercise, there was only one output quantity that we cared about ...the total energy. Here we will see some other things that we can extract from the files produced when one does a PW calculation...e.g., charge densities, and eigenvalues (which we will use to get band structure plots and densities of states). We will continue to work with Si,

which was the subject of exercise1.


You will see the following files:




A) Band structure of Si -








B) Charge density for Si -






C) Density of states plot for Si -