Dear all
is it possible to calculate the partial charge density on specific band and k-point with Abinit?
Cheers.
partial charge density
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ilukacevic
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Re: partial charge density
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.
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.