[DFTB-Plus-User] Band structure calculations

[toufik esssakhri]

Dear users,

I am new user of the DFTB+ code
I want to perform band structure calculations, I followed this link
https://www.dftbplus.org/fileadmin/DFTB-Plus/public/tutorials/cecamhp/html/electstruct.html
For band structures calculations I use :
  *

ReadInitialCharges = Yes

  *

MaxSCCIterations = 1


KPointsAndWeights = KLines {
  *

  1    0.33333333  0.66666666 0.0    # K
 20    0.0  0.0  0.0                 # Gamma
 20    0.5  0.0  0.0                 # M
 10    0.33333333  0.66666666 0.0    # K
}

It crushes with this error "dftb_in/Hamiltonian/DFTB/KPointsAndWeights"

Thank you in advance for your help.
Best Regards
Taoufik
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