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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jan-2018Mg_PTIFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---1696.17132715; eV
thumbnail.jpeg31-Jan-2018Mg_PHIFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---3139.67323582; eV
thumbnail.jpeg31-Jan-2018PHI_sFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---3140.92615911; eV
thumbnail.jpeg30-Jan-2018Mg_BCNFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---1907.83846914; eV
thumbnail.jpeg30-Jan-2018bulk_r_PTIFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimization---848.82045666; eV
thumbnail.jpeg30-Jan-2018PdCl2_molecFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---7.64646806; eV
thumbnail.jpeg30-Jan-2018Pd_atomFako, Edvinvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimization---1.50156387; eV
thumbnail.jpeg30-Jan-2018PHI_Mg_Cl2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---3149.56901047; eV
thumbnail.jpeg30-Jan-2018bulk_n_PHIFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimization---1570.11832843; eV
thumbnail.jpeg30-Jan-2018bulk_n_PTIFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimization---848.19503405; eV
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