UT theoretical chemistry code forum

Dear Graeme

Thanks for the comments:

(1) I up date for the new version of the code.

(2) I performed test calculations for several systems in order to understand how does the code works and what can I learn from Bader analysis (all calculations using the standard CHGCAR file, no partial core added ...

Any comment can be send direct to my e-mail too:
juarez_dasilva@nrel.gov

Dear Developers and users of the bader analysis tool

I dowload the source code and the exec (linux PGF) files some days ago with the motivation to use Bader charge density analysis for CuTe systems with electron density obtained with VASP.

As a first test, I calculated NaCl using the CHGCAR ...