# CCL:G: Integrals from DFT simulations

*From*: "Krishna Govender"
<kk.govender|-|gmail.com>
*Subject*: CCL:G: Integrals from DFT simulations
*Date*: Fri, 21 Jan 2011 04:48:51 -0500

Sent to CCL by: "Krishna Govender" [kk.govender ~ gmail.com]
Good day everyone.
I hope that someone might be able to assist me with a problem I am currently
experiencing.
I have run some DFT simulations of some fairly simple systems and I wish to
determine the one and two-center integral terms for the DFT optimized
structures.
Where would I be able to find the above mentioned terms? These terms don't seem
to be located within the Gaussian log file.
Do I need to write out an additional file to get these terms? If so, what file
do I need to write out?
Will the file that is written out be in binary? If so, how may I be able to
convert the binary file into a readable format?
I would appreciate any input on the matter.
Thanks in advance.
Krishna Govender
Department of Chemistry
Scientific Computing Research Unit
University of Cape Town