[DFTB-Plus-User] DFTB+ feature depreciation

Ben Hourahine benjamin.hourahine at strath.ac.uk
Thu Nov 29 19:43:01 CET 2012


Hello everyone,

I'm in the process of revising the spin-orbit options for DFTB, and 
considering whether dual
spin orbit should become the default method for this type of 
calculation. I would like to find out
whether anyone is using spin orbit calculations at the moment, and if 
they have an opinion
regarding this possible change.

Regards

Ben

-- 
      Dr. B. Hourahine, SUPA, Department of Physics,
    University of Strathclyde, John Anderson Building,
           107 Rottenrow, Glasgow G4 0NG, UK.
     +44 141 548 2325, benjamin.hourahine at strath.ac.uk
    The University of Strathclyde is a charitable body,
registered in Scotland, with registration number SC015263



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