[DFTB-Plus-User] Fortran runtime error in PDOS calculations.

[siddheshwar chopra]

Dear Users,
The system considered was a polymer. Because the no. of k points is 0, I am
also getting the following error while converting .out to .dat:

    nkpt = len(eigvalarrays) / nspin
ZeroDivisionError: integer division or modulo by zero

What should be done in order to get PDOS for molecules/clusters/polymers?

Regards,

On Tue, Jun 5, 2018 at 11:12 AM, siddheshwar chopra <sidhusai at gmail.com>
wrote:

> Dear Users,
> I am calculating PDOS, and getting this error. Can anybody help in this
> regard?
>
> At line 3238 of file mainio.f90 (unit = 29, file = 'dos_c.out')
> Fortran runtime error: Cannot change STATUS parameter in OPEN statement
>
> 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.*
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