[DFTB-Plus-User] Format of skf files
Carlos Reis
carlos.loia.reis at gmail.com
Wed Sep 2 18:03:04 CEST 2009
Dear Bálint
Some skf parameter files have lines like the following after the 3rd
(in the homonuclear case) while others do not:
20*1.0
20*1.0
20*1.0
20*1.0
20*1.0
20*1.0
20*1.0
20*1.0
20*1.0
Does this means that the Hamiltonian and Overlap matrix elements start
at 1.0 and then "jump" discontinuously to other values? I'm a bit
puzzled about this.
Any help will be greatly appreciated.
Best regards, Carlos Reis.
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