DFTB+ beginner
#1430
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Welcome in the community! I'd suggest to start with the DFTB+ recipes, it should contain all the necessary information to start with DFTB+. |
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Hello everyone,
I am a new user of DFTB+ and I am getting confused on how to create input file for my system.
Currently I am trying to work on 2D COFs.
Can anyone help me how the geometry.gen format required by input file of DFTB+ look like?
How can I generate the supercell parameters for my COFs?
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