Bader scrip visualization

[saikat]

I have just started using the Bader script to view the charge density plot. The script is running well and output files are generated. But the ACF.dat, AVF.dat and the BCF.dat none of the files are opening in vaspview or VMD . It is objecting about the format style that data files are. I used the command " bader chargefile " . Can anyone suggest some way out to get the charge density plot?
Thanks in advance,
Saikat

[graeme]

The ACF.dat, BCF.dat and AVF.dat contain the results of run; the charge in each bader and atomic volumes, and a list of the bader volumes which make up the atomic volumes. None of these files can be visualized.

If you want to view a particular volume, use the -p flag and choose to print either all or a selected number of bader or atomic volumes. These can be visualized in a program such as vmd.

For more information about the flag, run bader -h or see: http://theory.cm.utexas.edu/bader/

[saikat]

I used bader -p chargefile option but that gives the charge density for individual atoms. what I am looking into is the charge density of the whole system and see if there any chnarge transfer among the parts of my system. For that I need to get the whole charge density. Could I explain my point now ?
Thanks for addressing my problem. Thanks.

[graeme]

The charge density for the whole system is what you provide to the Bader analysis program. It is an input, not an output.

Are you asking if there is a way to graphically display the values of the Bader charges for each atom? If so, then the answer is no; we only give you the values.