[DFTB-Plus-User] about cutoff in SK file

gxaaas gxaaas at gmail.com
Sat Sep 8 11:38:54 CEST 2012


Hi all,
   Could some tell me something on the cutoff for the adjacent two atoms in the SK file ?  If the distance between two atoms (like CC) is 4 angstrom, is there some interaction between them in dftb calculation?  Thanks !




gxaaas
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