Difference between revisions of "Samples"
From salmon
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* input file ([[C2H2_gs.inp]], [[C2H2_coor.data]]) | * input file ([[C2H2_gs.inp]], [[C2H2_coor.data]]) | ||
* pseudo potential files ([[C_rps.dat]], [[H_rps.dat]]) | * pseudo potential files ([[C_rps.dat]], [[H_rps.dat]]) | ||
| − | ** [[Explanations for | + | ** [[Explanations for C2H2_gs input files]] |
* output files ([[C2H2.info]], [[density.cube]], [[dns.cube]], [[elf.cube]], [[psi1.cube]], [[dos.data]], [[pdos1.data]]) | * output files ([[C2H2.info]], [[density.cube]], [[dns.cube]], [[elf.cube]], [[psi1.cube]], [[dos.data]], [[pdos1.data]]) | ||
** [[Explanations for C2H2_gs output files]] | ** [[Explanations for C2H2_gs output files]] | ||
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== Sample-2: Polarizability and oscillator strength distribution of acetylene molecule == | == Sample-2: Polarizability and oscillator strength distribution of acetylene molecule == | ||
* input file ([[C2H2_rt_response.inp]]) | * input file ([[C2H2_rt_response.inp]]) | ||
| − | ** [[Explanations for | + | ** [[Explanations for C2H2_rt input files]] |
* output files ([[C2H2-RT.data]], [[C2H2-ALP.data]]) | * output files ([[C2H2-RT.data]], [[C2H2-ALP.data]]) | ||
** [[Explanations for C2H2_rt_response output files]] | ** [[Explanations for C2H2_rt_response output files]] | ||
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== Sample-3: Electron dynamics calculation of acetylene molecule under time-dependent electric field == | == Sample-3: Electron dynamics calculation of acetylene molecule under time-dependent electric field == | ||
* input file ([[C2H2_rt_pulse.inp]]) | * input file ([[C2H2_rt_pulse.inp]]) | ||
| − | ** [[Explanations for | + | ** [[Explanations for C2H2_rt input files]] |
* output files ([[C2H2-RT.data]], [[C2H2-ALP.data]]) | * output files ([[C2H2-RT.data]], [[C2H2-ALP.data]]) | ||
** [[Explanations for C2H2_rt_pulse output files]] | ** [[Explanations for C2H2_rt_pulse output files]] | ||
Revision as of 11:37, 11 June 2017
Contents
- 1 Sample-1: Ground state calculation of acetylene (C2H2) molecule
- 2 Sample-2: Polarizability and oscillator strength distribution of acetylene molecule
- 3 Sample-3: Electron dynamics calculation of acetylene molecule under time-dependent electric field
- 4 Sample-4: Ground state and dielectric function calculation of crystalline silicon
- 5 Sample-5: Ground state and electron dynamics calculation of crystalline silicon under time-dependent electric field
- 6 Sample-6: Coupled multiscale calculation of electrons and electromagnetic fields in crystalline silicon
Sample-1: Ground state calculation of acetylene (C2H2) molecule
- input file (C2H2_gs.inp, C2H2_coor.data)
- pseudo potential files (C_rps.dat, H_rps.dat)
- output files (C2H2.info, density.cube, dns.cube, elf.cube, psi1.cube, dos.data, pdos1.data)
Sample-2: Polarizability and oscillator strength distribution of acetylene molecule
- input file (C2H2_rt_response.inp)
- output files (C2H2-RT.data, C2H2-ALP.data)
Sample-3: Electron dynamics calculation of acetylene molecule under time-dependent electric field
- input file (C2H2_rt_pulse.inp)
- output files (C2H2-RT.data, C2H2-ALP.data)
Sample-4: Ground state and dielectric function calculation of crystalline silicon
- input file (silicon_sc_response.inp)
- pseudo potential files (Si_rps.dat)
- output files (aaa, bbb, ccc)
Sample-5: Ground state and electron dynamics calculation of crystalline silicon under time-dependent electric field
- input file (silicon_sc_pulse.inp)
- pseudo potential files (Si_rps.dat)
- output files (aaa, bbb, ccc)
Sample-6: Coupled multiscale calculation of electrons and electromagnetic fields in crystalline silicon
- input file (silicon_ms.inp)
- pseudo potential files (Si_rps.dat)
- output files (aaa, bbb, ccc)
