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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required5-Nov-2018c00002Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.717413; eV
Login required26-Jun-2020c00002Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.572542; eV
Login required5-Nov-2018c00003Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.661857; eV
Login required26-Jun-2020c00003Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.269083; eV
Login required5-Nov-2018c00004Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208218.933643; eV
Login required26-Jun-2020c00004Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.508269; eV
Login required26-Jun-2020c00005Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.460198; eV
Login required5-Nov-2018c00006Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.682138; eV
Login required26-Jun-2020c00006Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.433581; eV
Login required5-Nov-2018c00007Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.717506; eV
Login required26-Jun-2020c00007Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.492320; eV
Login required5-Nov-2018c00008Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208218.005455; eV
Login required26-Jun-2020c00008Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.550664; eV
Login required5-Nov-2018c00009Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.998622; eV
Login required26-Jun-2020c00009Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.490509; eV
Login required5-Nov-2018c00010Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.539542; eV
Login required26-Jun-2020c00010Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.497344; eV
Login required5-Nov-2018c00011Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.456728; eV
Login required26-Jun-2020c00011Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.444148; eV
Login required5-Nov-2018c00012Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.874019; eV