[Pw_forum] charge density

[alan chen]

Dear PWSCF users,
       I want to know how the charge density is normalized in PWSCF.
       For example, I have calculated bulk STO. The integral of charge
density over the unit cell is 0.162. I normalize it to the total number of
electron which is 40.
       Then I calculate bulk LAO in the unit cell of the same size, same
k-point sample and same energy cutoff. The integral of charge density over
the unit cell is 0.19. The total number of electrons is 32 for LAO.
       So how does PWSCF normalize charge density for different cases?
       Thank you.

Hanghui
Department of Physics,
Yale University
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080522/ddb0662b/attachment.htm