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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegK-PB_HSE03_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex---627.46119826; eV
thumbnail.jpegRb-PB_HSE03_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only---628.34199936; eV
thumbnail.jpegK-PB_PBEsol+U_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex---440.93208081; eV
thumbnail.jpegRb-PB_HSE03_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex---628.38412989; eV
thumbnail.jpegK-PB_PBEsol+U_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex---440.76185088; eV
thumbnail.jpegCs-PB_HSE03_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex---630.57816336; eV
thumbnail.jpegLi-PB_PBEsol+U_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex---437.97493417; eV
thumbnail.jpegBG_PBEsol+U_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex---421.29167683; eV
thumbnail.jpegBG_PBEsol+U_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex---421.43066589; eV
thumbnail.jpegRb2-PW_HSE03_dosHegner, Franziska Simonevasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only---646.10056685; eV
thumbnail.jpegBG_HSE03_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only---605.91411958; eV
thumbnail.jpegf-Na2-PW_HSE03_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex---646.43070067; eV
thumbnail.jpegBG_HSE03_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only---605.85463979; eV
thumbnail.jpegf-Na2-PW_HSE03_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex---640.53413713; eV
thumbnail.jpegCs-PB_HSE03_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex---630.61311434; eV
thumbnail.jpegFr-PB_HSE03_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex---625.43201908; eV
thumbnail.jpegFr-PB_HSE03_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only---625.38560378; eV
thumbnail.jpeglsls-K2-PW_HSE03_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only---642.91644559; eV
thumbnail.jpeglsls-K2-PW_HSE03_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only---643.01556880; eV
thumbnail.jpegLi2-PW_HSE03_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only---632.01677084; eV
thumbnail.jpegNa2-PW_HSE03_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex---642.16969641; eV
thumbnail.jpegNa2-PW_HSE03_staticHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only---637.31802954; eV
thumbnail.jpeglsls-K2-PW_PBEsol+U_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex---453.01012636; eV
thumbnail.jpeglsls-K2-PW_PBEsol+U_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex---452.84326194; eV
thumbnail.jpegK2-PW_HSE03_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only---644.20532638; eV
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