The ABINIT Users Mailing List ( CLOSED )

[Steven Homolya <steven.homolya@spme.monash.edu.au>]

Rebecca Janisch wrote:
> Hi,
>
> I'm not sure whether I remember the original question right (and I'm too lazy 
> to
> check the archive, I apologize for that), but, how about using the initial
> charge density that ABINIT generates in the first scf loop as a reference?

That's more like the sort of thing that I was after.

Now two questions remain:

1) Does abinit initialise the calculation using a superposition of atomic
densities?

2) If yes, should I use the density from before or after the first scf cycle?
(Is it possible to write density before?)

Steve