[DFTB-Plus-User] Antiferromagnetic configuration

[toufik esssakhri]

Dear all,
How to set an antiferromagnetic configuration for a system?
Atoms number 63 65 79 81 83 97 99 101 spin up and atoms number 62 64 66 80 82 84 98 100 spin down

I try:
      AtomSpin = {
        Atoms = 63:63 65:65 79:79 81:81 83:83 97:97 99:99 101:101
        SpinPerAtom = +1
      }
      AtomSpin = {
        Atoms = 62:62 64:64 66:66 80:80 82:82 84:84 98:98 100:100
        SpinPerAtom = -1
      }

and

      AtomSpin = {
        Atoms = 63 65 79 81 83 97 99 101
        SpinPerAtom = +1
      }
      AtomSpin = {
        Atoms = 62 64 66 80 82 84 98 100
        SpinPerAtom = -1
      }

In both cases I am getting an error:

WARNING!
-> The following 1 node(s) have been ignored by the parser:
(1)
Path: dftb_in/Hamiltonian/DFTB/SpinPolarisation/Colinear/InitialSpin
Line: 44-53 (File: dftb_in.hsd)

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

Any suggestion?

Regards,
Toufik
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