[Re:01] DOS

Posted on : November 16, 2016 (Wed) 09:13:31

by Administrator

Dear Wang,

the total DOS is the DOS per unit cell. The partial DOS (or local DOS) is the DOS within a some region. As a default, it is within a muffin-tin sphere. If you use ASA (atomic sphere approximation), it would be within a volume filling atomic sphere. Thus, the local DOS has completely a different meaning from the total DOS. However, the average (weighted by the concentration, e.g. 0.7 and 0.3) of the local DOS will be approximately (normally less than) the total DOS.

KKR administrator