[DFTB-Plus-User] 4 nodes ignored in input file

Arun Sharma anonymousarun at gmail.com
Tue Jun 20 14:40:29 CEST 2023


Hello,
I am trying to run MD using DFTB+ v 22.2, however, my input fails with the
following errors:
WARNING!
-> The following 4 node(s) have been ignored by the parser:
(1)
Path: dftbplusinput/Hamiltonian/DFTB/KPointsAndWeights
Line: 37-42 (File: dftb_in.hsd)
(2)
Path: dftbplusinput/Hamiltonian/DFTB/Filling/Fermi/IndependentKFilling
Line: 63-63 (File: dftb_in.hsd)
(3)
Path: dftbplusinput/Hamiltonian/DFTB/EwaldParameter
Line: 86-86 (File: dftb_in.hsd)
(4)
Path: dftbplusinput/Hamiltonian/DFTB/EwaldTolerance
Line: 87-87 (File: dftb_in.hsd)

ERROR!
-> Code halting due to the presence of errors in dftb_in file.

However, there are no errors specified apart from the 4 mentioned above. I
wonder if someone could take a look at the input file and advise. I
sincerely appreciate your help.
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