[DFTB-Plus-User] Problem with the geometry section in the input file

[Hafid KHALFOUN]

Dear USERS
I tried unsuccessfully to install DFTB+ on my laptop  through the weblink
https://github.com/dftbplus/dftbplus/blob/master/INSTALL.rst
recommandations

I got some troubles with "numpy" even i called it  . I don't know how to go
over this technical problem.

is there onther way to install successfully dftb+ ?  i.e.  a more practical
package ?

thanks
Hafid

Le jeu. 20 févr. 2020 à 14:32, Moyassar Meshhal via DFTB-Plus-User <
dftb-plus-user at mailman.zfn.uni-bremen.de> a écrit :

> Hello,
>
>
> I have an issue with the geometry section in the input file.
>
> I have been trying to include the geometry of my system from a gen file as
> described in the manual:
>
>
> Geometry = GenFormat {
> <<< "geometry.gen"
> }
>
> However, it fails to read the file and gives me this error:
>
> Reading input file 'dftb_in.hsd'
> ERROR!
> -> HSD parser error: File 'dftb_in.hsd', Line    2.
> -> Error in opening file 'geometry.gen'.
>
>
> When I write the geometry in the input file, it works if the system is not
> too big (it was fine with a system of about 130 atoms). But when I tried a
> large system, more than 2000 atoms, it gives me that error:
>
> ERROR!
> -> Unexpected end of data
> Path: dftbplusinput/Geometry/GenFormat
> Line: 1-2086 (File: dftb_in.hsd)
>
> Could you please help me figuring out how to solve this problem?
>
>
> Best Regards,
>
> Moyassar
>
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