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AI-relaxer (CHGNet)
ASE
Band offset
Band structure
Band unfolding
Density of states
Dipole moment
Equation of state
Local density of states
Mulliken population
Spin DFT
Total energy
Valence band maximum
Wavefunction
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Tutorials
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Tutorials
Accuracy
AI-relaxer (CHGNet)
ASE
Band offset
Band structure
Band unfolding
Density of states
Dipole moment
Equation of state
Local density of states
Mulliken population
Spin DFT
Total energy
Valence band maximum
Wavefunction