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| − | == Sample-1: Ground state of C2H2 molecule ==
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| − | * input file ([[media:C2H2_gs.inp|C2H2_gs.inp]])
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| − | * pseudo potential files ([[media:C_rps.dat|C_rps.dat]], [[media:H_rps.dat|H_rps.dat]])
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| − | ** [[Explanations for C2H2_gs input files-v.1.0.0]]
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| − | * an output file ([[media:C2H2.info|C2H2.info]]) and additional output files ([[media:Psi5.cube|psi5.cube]], [[media:Dns.cube|dns.cube]], [[media:Elf.cube|elf.cube]], [[media:Dos.data|dos.data]], [[media:Pdos1.data|pdos1.data]])
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| − | ** [[Explanations for C2H2_gs output files-v.1.0.0]]
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| − | * images generated by cube files (psi: highest occupied molecular orbital (HOMO), dns: electron density, ELF: electron localization function)
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| − | [[File:HOMO.png#file|300px]][[File:Dns.png#file|300px]][[File:Elf.png#file|300px]]
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| − | == Sample-2: Polarizability of C2H2 molecule ==
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| − | * input file ([[media:C2H2_rt_response.inp|C2H2_rt_response.inp]])
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| − | * pseudo potential files ([[media:C_rps.dat|C_rps.dat]], [[media:H_rps.dat|H_rps.dat]])
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| − | ** [[Explanations for C2H2_rt_response input files-v.1.0.0]]
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| − | * output files ([[media:C2H2-RT_response.data|C2H2-RT.data]], [[media:C2H2-ALP_response.data|C2H2-ALP.data]])
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| − | ** [[Explanations for C2H2_rt_response output files-v.1.0.0]]
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| − |
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| − | == Sample-3: Electron dynamics of C2H2 molecule under pulsed electric field ==
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| − | * input file ([[media:C2H2_rt_pulse.inp|C2H2_rt_pulse.inp]])
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| − | * pseudo potential files ([[media:C_rps.dat|C_rps.dat]], [[media:H_rps.dat|H_rps.dat]])
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| − | ** [[Explanations for C2H2_rt_pulse input files-v.1.0.0]]
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| − | * output files ([[media:C2H2-RT_pulse.data|C2H2-RT.data]], [[media:C2H2-ALP_pulse.data|C2H2-ALP.data]])
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| − | ** [[Explanations for C2H2_rt_pulse output files-v.1.0.0]]
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| − |
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| − | == Sample-4: Ground state and dielectric function of crystalline silicon ==
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| − | * input file ([[Si_sc_response.inp]])
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| − | * pseudo potential files ([[media: Si_rps.dat | Si_rps.dat]])
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| − | ** [[Explanations for Si_response input files-v.1.0.0]]
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| − | * output files
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| − | ** [[Explanations for Si response output files-v.1.0.0]]
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| − |
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| − | == Sample-5: Ground state and electron dynamics of crystalline silicon under pulsed electric field ==
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| − | * input file ([[media: Si_sc_pulse.inp | Si_sc_pulse.inp]])
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| − | * pseudo potential files ([[media: Si_rps.dat | Si_rps.dat]])
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| − | ** [[Explanations for Si_sc_pulse input files-v.1.0.0]]
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| − | * output files ([[media: Si_sc_pulse.out | Si_sc_pulse.out]], [[media:Si_sc_pulse_j_ac.out|Si_sc_pulse_j_ac.out ]]
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| − | ** [[Explanations for Si_sc_pulse output files-v.1.0.0]]
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| − |
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| − | == Sample-6: Coupled multiscale calculation of electrons and electromagnetic fields in crystalline silicon ==
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| − | * input file ([[media: Si_ms_pulse.inp | Si_ms_pulse.inp]])
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| − | * pseudo potential files ([[media: Si_rps.dat | Si_rps.dat]])
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| − | ** [[Explanations for Si_ms input files-v.1.0.0]]
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| − | * output files([[media: Si_ms_pulse.out |Si_ms_pulse.out]], [[media: Si_ms_pulse_Ac_000000.out | Si_ms_pulse_Ac_000000.out]])
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| − | ** [[Explanations for Si_ms output files-v.1.0.0]]
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