第一原理分子動力学プログラム STATE Senri Wiki

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#author("2023-08-06T09:33:17+09:00","default:StatE","StatE")
*Tutorial [#e6663f0c]
-[[Preliminaries>QE_tutorial/Preliminaries]]
-[[Hydrogen molecule: SCF and structural optimization>QE_tutorial/H2]]
-[[Hydrogen molecule: vibration>QE_tutorial/H2_vib]]
-[[Water molecule: visualization of MO>QE_tutorial/H2O_MO]]
-[[Oxygen molecule: spin unrestricted calculation>QE_tutorial/O2]]
-[[Silicon: cell optimization>QE_tutorial/Si]]
-[[Alminum: cell optimization and metallic system>QE_tutorial/Al]]
-[[Gold: cell optimization and band structure calculation>QE_tutorial/Au]]
-[[Graphene: cell optimization and band structure calculation>QE_tutorial/GR]]
-[[Anthracene: generation of Max. Loc. Wannier functions>QE_tutorial/Anthracene]]
-[[H2+H: reaction path search by the NEB method>QE_tutorial/H2+H_NEB]]