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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Mar-2023/ini_data_source/Cu/bulk_MD 500K_bcc_444Lian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexAb-Initio Molecular DynamicsDFT--477.46364432; eV
thumbnail.jpeg22-Mar-2023/ini_data_source/Cu/bulk_MD 500K_bcc_333Lian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexAb-Initio Molecular DynamicsDFT--201.32539833; eV
thumbnail.jpeg22-Mar-2023/ini_data_source/Cu/bulk_MD 500K_bcc_222Lian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexAb-Initio Molecular DynamicsDFT--60.07118409; eV
thumbnail.jpeg22-Mar-2023/ini_data_source/Cu/bulk_MD 500K_bcc_111Lian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexAb-Initio Molecular DynamicsDFT--7.55696432; eV
thumbnail.jpeg22-Mar-2023/ini_data_source/Cu/bulk_MD 300K_fcc_333Lian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexAb-Initio Molecular DynamicsDFT--408.45151446; eV
thumbnail.jpeg22-Mar-2023/ini_data_source/Cu/bulk_MD 300K_fcc_444Lian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexAb-Initio Molecular DynamicsDFT--968.62324832; eV
thumbnail.jpeg22-Mar-2023/ini_data_source/Cu/bulk_MD 300K_fcc_222Lian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexAb-Initio Molecular DynamicsDFT--120.75244592; eV
thumbnail.jpeg22-Mar-2023/ini_data_source/Cu/bulk_MD 300K_fcc_111Lian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexAb-Initio Molecular DynamicsDFT--15.26377868; eV
thumbnail.jpeg22-Mar-2023/NNP_application/Odes 631Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg22-Mar-2023/NNP_application/Odes 632Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
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