[Pw_forum] bands calculation

Paolo Giannozzi giannozz at democritos.it
Wed Apr 21 10:14:50 CEST 2010


Ngoc Linh Nguyen wrote:

>> 2) what data from scf calculation is used by bands calculation.

> that are mainly the eigenvalues at each K_point and also some other 
> relevant data.

not true. A band calculation uses the charge density from a scf calculation.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



More information about the users mailing list