[DFTB-Plus-User] How to add point charges

[Bhatt, Mahesh]

Hi Dr. Blint,
I got it, but I got noe new error:

 Density Functional based Tight Binding with a lot of extensions (DFTB+)
==
==                              Release: 1.2 (p1)
==
==                            (ParserVersion = 4)
==
================================================================================


********************************************************************************
** Parsing and initializing
********************************************************************************

Interpreting input file 'dftb_in.hsd'
--------------------------------------------------------------------------------
Reading SK-files:
  C-C.skf
  C-H.skf
  H-C.skf
  H-H.skf
Done.
ERROR!
-> Invalid real value
Path: dftb_in/Hamiltonian/DFTB/ElectricField/PointCharges/CoordsAndCharges
Line: 893-1254 (File: dftb_in.hsd)


Please let me know what type of error this and how can I eliminate it to make calculations.

Sincere Regards
Mahesh


________________________________________
From: dftb-plus-user-bounces at dftb-plus.info [dftb-plus-user-bounces at dftb-plus.info] on behalf of Bálint Aradi [balint.aradi at bccms.uni-bremen.de]
Sent: Wednesday, February 27, 2013 8:15 AM
To: User list for DFTB+ related questions
Subject: Re: [DFTB-Plus-User] How to add point charges

> ERROR!
> -> Missing child: CoordsAndCharges
> Path: dftb_in/Hamiltonian/DFTB/ElectricField/PointCharges
> Line: 893-1256 (File: dftb_in.hsd)

Exactly as the program says: The keyword "CoordsAndCharges" is missing,
as you've mispelled it.

  Best regards,

  Bálint

--
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/