ABINIT Discussion Forums

Posted: **Mon Mar 24, 2014 4:43 pm**

Dear all

is it possible to calculate the partial charge density on specific band and k-point with Abinit?

Cheers.

Posted: **Tue Mar 25, 2014 8:38 am**

Hi!

For bands you just use "occ" variable, when it comes to printing, to occupy the wanted band and leave the other bands unoccupied (put occ to zero for them).

For k points I'm not sure.

Best regards,

Igor L.

ABINIT Discussion Forums

partial charge density

partial charge density

Re: partial charge density