Search        

Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required20-Jun-2025/Mn_proj/Surfaces/112/phonopy/disp_159 disp_159Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--1043.60226068; eV
Login required20-Jun-2025/Mn_proj/Surfaces/112/phonopy/disp_009 disp_009Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--1043.61234878; eV
Login required20-Jun-2025/Mn_proj/Surfaces/112/phonopy/disp_021 disp_021Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--1043.61138335; eV
thumbnail.jpeg20-Feb-2024/CsSnX3/CsSnI3/Tetragonal PBEsol-SOC-HSE06Echeverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complexSingle pointDFT--36.02394252; eV
thumbnail.jpeg20-Feb-2024/MASnX3/MASnBr3/Orthorhombic PBEsol-SOCEcheverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complexSingle pointDFT--109.50349884; eV
thumbnail.jpeg20-Feb-2024/MASnX3/MASnBr3/Orthorhombic PBEsolEcheverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complexGeometry optimizationDFT--109.24434968; eV
thumbnail.jpeg20-Feb-2024/CsSnX3/CsSnBr3/Cubic PBE-HSE06Echeverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complexSingle pointDFT--18.82872549; eV
thumbnail.jpeg20-Feb-2024/FASnX3/FASnI3/Orthorhombic_Imm2 PBEsolEcheverria, Carlosvasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complexN/ADFT--466.30136064; eV
thumbnail.jpeg20-Feb-2024/MASnX3/MASnBr3/Cubic PBEsol-SOC-HSE06Echeverria, Carlosvasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complexN/ADFT--63.86680521; eV
thumbnail.jpeg20-Feb-2024/MASnX3/MASnI3/Cubic PBEsol-SOCEcheverria, Carlosvasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complexN/ADFT--53.46969193; eV
Results 4261-4270 of 101953 (Search time: 0.005 seconds).