[DFTB-Plus-User] Missing child: SlaterKosterfiles while running modes.

[siddheshwar chopra]

Dear Ben,
I am glad to know about the solution to this.
Thank you so much. I will report back on this.

Regards,

On Wed 2 May, 2018 5:55 am Ben Hourahine, <benjamin.hourahine at strath.ac.uk>
wrote:

> Hello Siddheshwar,
>
> The modes_in.hsd file has some errors, Try:
>
>
> Geometry= Genformat {ATOM COORDS...}
>
> SlaterKosterFiles = Type2FileNames {
>     Prefix = "./"
>     Separator = "-"
>     Suffix = ".skf"
>     LowerCaseTypeName = No
> }
>
> Hessian {
>     <<< "hessian.out"
> }
>
> DisplayModes{
>     PlotModes= 1:-1
>     Animate= Yes
>     XMakeMol= Yes
> }
>
>
> The Hamiltonian and the angular momentum is only relevant to DFTB+ (and
> was being ignored, so removing the SK block for modes).
>
> Regards
>
> Ben
>
> On 01/05/18 14:34, siddheshwar chopra wrote:
>
> Dear All,
> Anybody faced the same issue? I am unable to run "modes" due to this
> error. The "dftb+" is however running very well and picking up the .skf
> file easily (in the same location). Is it a bug or what?
> Any help please.
>
> Regards,
>
> On Fri, Apr 27, 2018 at 9:00 AM, siddheshwar chopra <sidhusai at gmail.com>
> wrote:
>
>> Dear Sir,
>> I am trying to run "modes" using modes_in.hsd. But I am getting the
>> following error:  The SK file is in the same location as that of the
>> modes_in.hsd file.
>>
>> modes modes_in.hsd
>>
>> ================================================================================
>>      MODES  0.01
>>
>> ================================================================================
>>
>> Interpreting input file 'modes_in.hsd'
>>
>> --------------------------------------------------------------------------------
>> ERROR!
>> -> Missing child: SlaterKosterFiles
>> Path: modes
>> #################################################
>>
>> Input file:
>>
>> Geometry= Genformat {ATOM COORDS...}
>> Hamiltonian = DFTB {       # DFTB Hamiltonian
>> SCC = Yes                  # Use self consistent charges
>> SlaterKosterFiles = Type2FileNames {
>> Prefix = "./"
>> Separator = "-"
>> Suffix = ".skf"
>> LowerCaseTypeName = No
>> }
>>
>> Hessian {
>> <<< "hessian.out"
>> }
>> DisplayModes{
>> PlotModes= 1:-1
>> Animate= Yes
>> XMakeMol= Yes
>> }
>>
>> MaxAngularMomentum {       # Maximal l-value of the various species
>> B = "p"
>> }
>> }
>> ParserOptions {
>> ParserVersion = 5
>> }
>>
>>
>> Regards,
>>
>> On Fri, Apr 27, 2018 at 8:58 AM, siddheshwar chopra <sidhusai at gmail.com>
>> wrote:
>>
>>> Dear Sir,
>>> I am trying to run "modes" using modes_in.hsd. But I am getting the
>>> following error:  The SK file is in the same location as that of the
>>> modes_in.hsd file.
>>>
>>> modes modes_in.hsd
>>>
>>> ================================================================================
>>>      MODES  0.01
>>>
>>> ================================================================================
>>>
>>> Interpreting input file 'modes_in.hsd'
>>>
>>> --------------------------------------------------------------------------------
>>> ERROR!
>>> -> Missing child: SlaterKosterFiles
>>> Path: modes
>>> #################################################
>>>
>>> Input file:
>>>
>>> Geometry= Genformat {ATOM COORDS...}
>>> Hamiltonian = DFTB {       # DFTB Hamiltonian
>>> SCC = Yes                  # Use self consistent charges
>>> SlaterKosterFiles = Type2FileNames {
>>> Prefix = "./"
>>> Separator = "-"
>>> Suffix = ".skf"
>>> LowerCaseTypeName = No
>>> }
>>>
>>> Hessian {
>>> <<< "hessian.out"
>>> }
>>> DisplayModes{
>>> PlotModes= 1:-1
>>> Animate= Yes
>>> XMakeMol= Yes
>>> }
>>>
>>> MaxAngularMomentum {       # Maximal l-value of the various species
>>> B = "p"
>>> }
>>> }
>>> ParserOptions {
>>> ParserVersion = 5
>>> }
>>>
>>>
>>> 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.*
>>
>>
>
>
> --
> *Dr. Siddheshwar chopra,*
>
>
> *M.Sc., Ph.D (Physics) Assistant Professor (Physics), *
> *Amity University, Noida, India.*
>
>
>
> _______________________________________________
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>
>
> --
>       Dr. B. Hourahine, SUPA, Department of Physics,
>     University of Strathclyde, John Anderson Building,
>             107 Rottenrow, Glasgow G4 0NG, UK.
>     +44 141 548 2325, benjamin.hourahine at strath.ac.uk
>
> 2013/4 THE Awards Entrepreneurial University of the Year
>       2012/13 THE Awards UK University of the Year
>
>    The University of Strathclyde is a charitable body,
>         registered in Scotland, number SC015263
>
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