KPointsAndWeights has been ignored by the parser

[qixiangyin]

Dear developers.
I am a beginner in DFTBPlus.I have encountered a problem with band structure calculations.When I run the input file dftb_in.hsd, it always reminds me that KPointsAndWeights is ignored.
Here are the details.
input：
Geometry = xyzFormat {
<<<"geom4.xyz"
}

Hamiltonian = DFTB {
Scc = Yes
SccTolerance = 0.1
SlaterKosterFiles {
S-S = "../../slakos/mio-ext/S-S.skf"
Ti-Ti = "../../slakos/mio-ext/Ti-Ti.skf"
S-Ti = "../../slakos/mio-ext/S-Ti.skf"
Ti-S = "../../slakos/mio-ext/Ti-S.skf"
}
MaxAngularMomentum {
Ti = "d"
S = "p"
}

KPointsAndWeights = SupercellFolding {
4 0 0
0 4 0
0 0 1
0.5 0.5 0.0
}
}

Options {}

Analysis {
ProjectStates {
Region {
Atoms = Ti
ShellResolved = Yes
Label = "dos_ti"
}
Region {
Atoms = S
ShellResolved = Yes
Label = "dos_s"
}
}
}

ParserOptions {
ParserVersion = 12
}

output:
ERROR!
-> Code halting due to the presence of errors in dftb in file.ERROR STOP
Done.
WARNING!
-> The following l node(s) have been ignored by the parser:(1)
Path: dftbplusinput/Hamiltonian/DFTB/KPointsAndWeightsLine: 20-25 (File: dftb in.hsd)
ERROR!
-> Code halting due to the presence of errors in dftb in file.
ERROR STOP

Thanks in advance

[aradi]

The problem seems to be, that your structure is not periodic and therefore DFTB+ tries to do a non-periodic calculation, where no K-Points are needed. Note, the XYZ-format does not contain any lattice information. You the VASP or the GEN-format instead, which contain also the supercell vectors.

[qixiangyin]

Thank you very much for your answer. The problem has been solved.