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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Feb-2024/FASnX3/FASnI3/Orthorhombic_Amm2 PBEsol-SOCEcheverria, Carlosvasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complexN/ADFT--117.10468374; eV
thumbnail.jpeg20-Feb-2024/CsSnX3/CsSnBr3/Cubic PBE-SOC-HSE06Echeverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complexSingle pointDFT--19.07981542; eV
thumbnail.jpeg20-Feb-2024/MASnX3/MASnCl3/Monoclinic PBEsolEcheverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 10:02:23) complexGeometry optimizationDFT--111.60407960; eV
thumbnail.jpeg20-Feb-2024/CsSnX3/CsSnBr3/Cubic PBEsol-SOCEcheverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complexSingle pointDFT--17.02415488; eV
thumbnail.jpeg20-Feb-2024/MASnX3/MASnBr3/Cubic PBEsol-SOCEcheverria, Carlosvasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complexN/ADFT--54.76275499; eV
thumbnail.jpeg20-Feb-2024/MASnX3/MASnCl3/Monoclinic PBEsol-SOCEcheverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complexSingle pointDFT--
thumbnail.jpeg20-Feb-2024/MASnX3/MASnBr3/Cubic PBEsolEcheverria, Carlosvasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complexN/ADFT--54.63997399; eV
thumbnail.jpeg20-Feb-2024/CsSnX3/CsSnI3/Cubic PBEEcheverria, Carlosvasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complexN/ADFT--14.03187827; eV
thumbnail.jpeg20-Feb-2024/CsSnX3/CsSnBr3/Tetragonal PBEsol-SOC-HSE06Echeverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complexSingle pointDFT--79.21859409; eV
thumbnail.jpeg20-Feb-2024/CsSnX3/CsSnBr3/Tetragonal PBE-SOC-HSE06Echeverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complexSingle pointDFT--76.40197596; eV
Results 3171-3180 of 101944 (Search time: 0.005 seconds).