Show Posts
1
General Questions and Answers / Slater-Koster Basis Set Predefined For Cu-CNT Composite
« on: January 9, 2020, 22:55 »
HELLO
I'm regenerating an open-access article which is attached below and it is about Cu-CNT Composite but I have a problem with the Slater-Koster (tight-binding) Basis Set Predefined and I cannot find a suitable DFTB file or parameter at (C:\Program Files\QuantumATK\share\tightbinding\dftb) or (https://www.dftb.org/parameters/download) for it.
I wondered if someone could help me find a suitable file or parameter.
Regards.
I'm regenerating an open-access article which is attached below and it is about Cu-CNT Composite but I have a problem with the Slater-Koster (tight-binding) Basis Set Predefined and I cannot find a suitable DFTB file or parameter at (C:\Program Files\QuantumATK\share\tightbinding\dftb) or (https://www.dftb.org/parameters/download) for it.
I wondered if someone could help me find a suitable file or parameter.
Regards.