第一原理分子動力学プログラム STATE Senri Wiki
開始行:
*Tutorial [#e6663f0c]
-[[Preliminaries>QE_tutorial/Preliminaries]]
-[[Hydrogen molecule: SCF and structural optimization>QE_...
-[[Hydrogen molecule: vibration>QE_tutorial/H2_vib]]
-[[Water molecule: visualization of MO>QE_tutorial/H2O_MO]]
-[[Oxygen molecule: spin unrestricted calculation>QE_tuto...
-[[Silicon: cell optimization>QE_tutorial/Si]]
-[[Alminum: cell optimization and metallic system>QE_tuto...
-[[Gold: cell optimization and band structure calculation...
-[[Graphene: cell optimization and band structure calcula...
-[[Anthracene: generation of Max. Loc. Wannier functions>...
-[[H2+H: reaction path search by the NEB method>QE_tutori...
終了行:
*Tutorial [#e6663f0c]
-[[Preliminaries>QE_tutorial/Preliminaries]]
-[[Hydrogen molecule: SCF and structural optimization>QE_...
-[[Hydrogen molecule: vibration>QE_tutorial/H2_vib]]
-[[Water molecule: visualization of MO>QE_tutorial/H2O_MO]]
-[[Oxygen molecule: spin unrestricted calculation>QE_tuto...
-[[Silicon: cell optimization>QE_tutorial/Si]]
-[[Alminum: cell optimization and metallic system>QE_tuto...
-[[Gold: cell optimization and band structure calculation...
-[[Graphene: cell optimization and band structure calcula...
-[[Anthracene: generation of Max. Loc. Wannier functions>...
-[[H2+H: reaction path search by the NEB method>QE_tutori...
ページ名: