Re: [Gausssum-help] PDOS plotting issue.

[siddheshwar c. <sid...@gm...>]

Dear All,
I have finally understood how to add "Groups.txt". It has to be added
inside the "gausssum2.2" folder which is generated on its own. It now
recognizes the different groups added.
But STILL a single DOS plot is popping up. Why is it not generating DOS for
different groups? Am I missing something?
Please help.


Regards,

On Wed, Jun 1, 2016 at 2:20 PM, siddheshwar chopra <sid...@gm...>
wrote:

> Dear All,
> I am trying to plot PDOS for a sample. I am following the Gausssum3.0
> documentation for the same. I made a new file named "Groups.txt" inside the
> Gausssum3.0 installation folder.
>
> But I am getting this error:
>
> Starting to analyse the molecular orbitals
> Using old output folder
> *Groups.txt not found*
>
> How do I confirm from which location Gausssum is searching for this file?
> I even copied the same file inside the folder of the LOG file. Please help.
>
> Regards,
> --
> *Dr. Siddheshwar chopra,*
>
>
> *M.Sc., Ph.D (Physics)Assistant Professor (Physics),*
> *Amity University, Noida, India.*
>
>


-- 
*Dr. Siddheshwar chopra,*


*M.Sc., Ph.D (Physics)Assistant Professor (Physics),*
*Amity University, Noida, India.*