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Browsing by Author Lian, Zan

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Showing results 1 to 6 of 6

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	700-fcc-8layers	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-229.52654052; eV
	7-Mar-2023	/ini-data-source/Cu/bulk-MD 300K_bcc_111	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-7.53817930; eV
	7-Mar-2023	/ini-data-source/Cu/bulk-MD 300K_bcc_222	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-59.89507078; eV
	7-Mar-2023	/ini-data-source/Cu/bulk-MD 300K_bcc_333	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-202.97909048; eV
	7-Mar-2023	/ini-data-source/Cu/bulk-MD 300K_bcc_444	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-480.86665723; eV
	7-Mar-2023	/ini-data-source/Cu/bulk-MD 300K_fcc_111	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-15.26377868; eV

Showing results 1 to 6 of 6