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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Oct-2023	4f_core,_1_te,_label_4	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 03 2015 11:45:30) gamma-only	Geometry optimization	DFT	-	-700.42832396; eV
	23-Oct-2023	4f_core,_1_te,_label_2	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 03 2015 11:45:30) gamma-only	Geometry optimization	DFT	-	-700.41210724; eV
	23-Oct-2023	h2o_pt8,_top_site,_3_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-714.42323456; eV
	23-Oct-2023	h_pt8,_scnd_layer_site,_0_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only	Geometry optimization	DFT	-	-705.09097758; eV
	23-Oct-2023	co_pt8,_top_site,_2_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-716.97992365; eV
	23-Oct-2023	co_pt8,_scnd_layer_site,_2_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-717.26084676; eV
	23-Oct-2023	4f_core,_2_te,_label_45	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.92782527; eV
	23-Oct-2023	4f_core,_2_te,_label_26	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.77013186; eV
	23-Oct-2023	4f_core,_2_te,_label_24	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.69539366; eV
	23-Oct-2023	4f_core,_2_te,_label_13	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.86004395; eV

Results 81-90 of 110 (Search time: 0.001 seconds).