[DFTB-Plus-User] (no subject)

[siddheshwar chopra]

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.*
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