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yuanhangtangle-air

Upload spec_XANES_Fe_PeakHeight.pt with huggingface_hub

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.gitattributes
1.68 kB
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Dipole_M.pt
644 MB
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Dispersion_E.pt
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Ea_log_wo_cell
644 MB
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Ea_log_wo_cell.pt
644 MB
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Electronic_E.pt
644 MB
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HL_Gap.pt
644 MB
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HOMO_Energy.pt
644 MB
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LUMO_Energy.pt
644 MB
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Metal_q.pt
644 MB
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Polarizability
644 MB
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Polarizability.pt
644 MB
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README.md
9.72 kB
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adsorption_energy.pt
644 MB
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castelli_eform.pt
644 MB
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cepdb_jsc.pt
644 MB
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cepdb_pce.pt
644 MB
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cepdb_voc.pt
644 MB
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dH_log_wo_cell.pt
644 MB
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dos_fermi_level.pt
644 MB
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dos_homo.pt
644 MB
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dos_lumo.pt
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dos_peak_after_lumo.pt
644 MB
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dos_peak_before_homo.pt
644 MB
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gibbs_free_energy.pt
644 MB
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hoip_diele_const_electronic.pt
644 MB
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hoip_diele_const_ionic
644 MB
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hoip_diele_const_ionic.pt
644 MB
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hoip_diele_const_total.pt
644 MB
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hoip_refractive_idx.pt
644 MB
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jarvis_bandgap.pt
644 MB
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jarvis_dfpt_piezo_max_dij.pt
644 MB
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jarvis_dfpt_piezo_max_eij.pt
644 MB
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jarvis_dielectric_opt.pt
644 MB
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jarvis_eform.pt
644 MB
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jarvis_gvrh.pt
644 MB
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jarvis_kvrh.pt
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jarvis_ncond.pt
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jarvis_nkappa.pt
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jarvis_pcond.pt
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jarvis_pkappa.pt
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jarvis_total_energy.pt
644 MB
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module-names.csv
2.11 kB
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mof_ch4pre35_adsorption.pt
644 MB
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mof_co2pre2.5_adsorption.pt
644 MB
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mof_h2pre2_adsorption.pt
644 MB
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mof_n2pre0.9_adsorption.pt
644 MB
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mp_bandgap.pt
644 MB
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mp_efermi.pt
644 MB
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mp_eform.pt
644 MB
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