Different DFTB in CP2K and DFTB+

Geng Sun sungen... at gmail.com
Wed Jul 15 11:07:06 CEST 2015


Dear CP2K users

      What's the difference of DFTB method in CP2K and that in DFTBplus 
program.

      Are  the spl files in cp2k/data/DFTB  same as what's supplied skf 
files in DFTBplus website ? are they compatible ?


      Geng Sun

Thanks !

     
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