[Pw_forum] Help

[Albert Aniagyei]

Hi,
I am running a pw.x calculation on the oxygen vacancy formation energies 
on some doped perovskites. But my energies don't seem to converge with 
fluctuations in the total energies as shown below. Do l take them as 
already converged or the total energies are just oscillating.
!    total energy              =   -1593.60308297 Ry
!    total energy              =   -1593.60308507 Ry
!    total energy              =   -1593.60307486 Ry
!    total energy              =   -1593.60308297 Ry
!    total energy              =   -1593.60308507 Ry
!    total energy              =   -1593.60307486 Ry
!    total energy              =   -1593.60308297 Ry
!    total energy              =   -1593.60308507 Ry
!    total energy              =   -1593.60307486 Ry
!    total energy              =   -1593.60308297 Ry
!    total energy              =   -1593.60308507 Ry
!    total energy              =   -1593.60307486 Ry
!    total energy              =   -1593.60308297 Ry
!    total energy              =   -1593.60308507 Ry
!    total energy              =   -1593.60307486 Ry
!    total energy              =   -1593.60308297 Ry
!    total energy              =   -1593.60308507 Ry
!    total energy              =   -1593.60307486 Ry
!    total energy              =   -1593.60308297 Ry
!    total energy              =   -1593.60308507 Ry
!    total energy              =   -1593.60307486 Ry
!    total energy              =   -1593.60308297 Ry
!    total energy              =   -1593.60308507 Ry
!    total energy              =   -1593.60307486 Ry
!    total energy              =   -1593.60308297 Ry
!    total energy              =   -1593.60308507 Ry
!    total energy              =   -1593.60307486 Ry
!    total energy              =   -1593.60308297 Ry
!    total energy              =   -1593.60308507 Ry
!    total energy              =   -1593.60307486 Ry
!    total energy              =   -1593.60308297 Ry
!    total energy              =   -1593.60308507 Ry
!    total energy              =   -1593.60307486 Ry
!    total energy              =   -1593.60308297 Ry

-- 
Albert Aniagyei,PhD student
Computational and Theoretical Chemistry Group
Kwame Nkrumah University of Science and Technology
Kumasi-Ghana