Re: [Gausssum-help] PDOS plotting issue.

[Noel O'B. <bao...@gm...>]

Maybe there's something wrong with your groups.txt file.

- Noel

On 1 June 2016 at 10:09, siddheshwar chopra <sid...@gm...> wrote:
> 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.
>