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I'm having a hard time knowing 1) what options are available for use in the input file and 2) what the meaning of some tags are in the input file. For example:
- What possible embedding functions are implemented. I see FinnisSinclair and a shiftedscaled version of FS. Are there any others?
- Exactly how is the FS function shifted and scaled and do we have control over those parameters?
- What is meant by drho_core_cut, rho_core_cut etc.
- In the "bonds" section of the input file, what bases are allowed and where can we find their functional forms so we know the meaning of "radparameters"
- What are the possible cutoff functions allowed?
- What are the meaning of "core_repulsion" parameters?
- What about dcut?
Thank you in advance.
apranav22apranav22
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