GitHub - Npikeulg/HT-BEC: Private Repo for high-throughout born effective charge analysis

Npikeulg / HT-BEC Public

Private Repo for high-throughout born effective charge analysis

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Name		Name	Last commit message	Last commit date
Latest commit History 7 Commits
bader_data.json		bader_data.json
becs.json		becs.json
database_filtered_sym_hexagonal.csv		database_filtered_sym_hexagonal.csv
database_filtered_sym_hexagonal_bec_odd_False.csv		database_filtered_sym_hexagonal_bec_odd_False.csv
database_filtered_sym_hexagonal_bec_odd_True.csv		database_filtered_sym_hexagonal_bec_odd_True.csv
database_generator.py		database_generator.py
structure_with_chem_env_simple.json		structure_with_chem_env_simple.json
structures.json		structures.json