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The basis used in DFT calculations is more than that in the TB model. there are some bands that should be excluded for training the TB model. previously we asked the users to exclude the bands when preparing training data. now we want to set a parameter to control the number of bands or orbitals to be excluded in common options.
Describe the solution you'd like
modify the code to accept the common options.
Additional Context
No response
The text was updated successfully, but these errors were encountered:
Background
The basis used in DFT calculations is more than that in the TB model. there are some bands that should be excluded for training the TB model. previously we asked the users to exclude the bands when preparing training data. now we want to set a parameter to control the number of bands or orbitals to be excluded in common options.
Describe the solution you'd like
modify the code to accept the common options.
Additional Context
No response
The text was updated successfully, but these errors were encountered: