[Octopus-users] Normalized density ?

[Ioannis Thanopoulos]

Hi All, 

I do appologize for disturbing, but I have two (perhaps trivial) questions:

1) is the density that is written for output indeed normalized ?
I simply do not get one, when I add the grid values times dxdydz;
for the problem I study now, it is always 0.897....; even when I make 
the grid spacing finer and finer.  

2) should the l=0 monopole term value in the multipoles output file at t=0 
of a time-simulation not be equal to the electronic charge of the system ? 
Or am I totally missing the way it is computed in the code ?

Thanks in advance for your insight.

Cheers

Ioannis


-- 

Dr. Ioannis Thanopoulos
Department of Chemistry
2036 Main Mall
University of British Columbia
Vancouver, B.C., Canada V6T1Z1
Tel: +1 604 822 8374
Fax: +1 604 822 2847
e-mail: ioannis at chem.ubc.ca