[Re:03] plotting DOS

Posted on : August 07, 2015 (Fri) 01:06:30

by Hitoshi

Hello Karim,

The total DOS is the "total" density of states of the material.
1st column is the energy, and 2nd column is the DOS.

Similarly, 1st column of the integrated DOS is the energy and 2nd is integrated DOS.
The total DOS is the differential of the integrated DOS.

DOS of component 1 is partial DOS of the 1st component in the calculation.
1st column is the energy, 2nd is partial dos of s state in the muffin-tin sphere of the component 1, 3rd is p state, 4th is d state and ...
In this case there is only one component (Co).

Hitoshi