voronoi population: output?

[golan]

Hello,

I am trying the voronoi population option in your bader code, as follows:
bader -c voronoi -n bader CHGCAR_AS
It seems to work (no errors), but I do not get any kind of output file.
Am I missing something?

This is the running output:
GRID BASED BADER ANALYSIS (v0.25d 03/19/09)

OPEN ... CHGCAR_AS
VASP-STYLE INPUT FILE
FFT-grid: 240 x 108 x 70
CLOSE ... CHGCAR_AS

RUN TIME: 2.08 SECONDS

CALCULATING VORONOI CHARGE DISTRIBUTION
0 10 25 50 75 100
PERCENT DONE: **********************
RUN TIME: 35.66 SECONDS

Thank you!

[Wenjie]

The output of the voronoi analysis has been added to the code. Please download the new released version and the output will be printed on the screen after the analysis.

[kokkonee]

I executed the bader script like this:

bader -c voronoi chargefile.cube

and I did get the voronoi-analysis output printed on the screen. In the output there are the charges I wanted.

Can I somehow get the volumes equivalent to the bader-volumes? The above mentioned output did not include them. Should I some flag? I also tried the bader -n voronoi chargefile.cube command, with no result.

BR.
Eero Kokkonen

[Wenjie]

We've updated bader again. Atomic volumes are added to the voronoi output. Please download the latest version and use:

bader -c voronoi CHGCAR

to get the voronoi output.