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

[Mat Toliday]

 Hello Moyassar
It seems like an error with the gen file. Posting a few lines form the big gen file might help. I've used larger gen files than this with no issues.Yours,Mat
    On Thursday, 20 February 2020, 14:32:13 CET, Moyassar Meshhal via DFTB-Plus-User <dftb-plus-user at mailman.zfn.uni-bremen.de> wrote:  
 
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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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