[ase-users] self-consistent calculations with DFTB+ calculator

[Gergely Juhasz]

I would like to perform my calculations in self-consistent way, however the
default setting for the calculator is no SCC.

Is there any parameter to switch the SCC on?
Or can I make ASE read in a dftb_in.hsd and use it instead of the
automatically generated one? I tries to play with restart :

tube.set_calculator(Dftb(restart = 'scc.hsd'))
but this one doesn't work at all.
Any suggestions?
Thank you in froward,
Gergely Jhasz
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