Difference between revisions of "Samples"
From salmon
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== Sample-1: Ground state of C2H2 molecule == | == Sample-1: Ground state of C2H2 molecule == | ||
| − | * input file ( | + | * input file (C2H2_gs.inp) |
| − | * pseudo potential files ( | + | * pseudo potential files (C_rps.dat, H_rps.dat) |
** [[Explanations for C2H2_gs input files]] | ** [[Explanations for C2H2_gs input files]] | ||
| − | * output files ( | + | * output files (C2H2.info, dns.cube, elf.cube, psi1.cube, dos.data, pdos1.data) |
** [[Explanations for C2H2_gs output files]] | ** [[Explanations for C2H2_gs output files]] | ||
* images generated by cube files (from left, highest occupied molecular orbital (HOMO), electron density, electron localization function (ELF)) | * images generated by cube files (from left, highest occupied molecular orbital (HOMO), electron density, electron localization function (ELF)) | ||
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== Sample-2: Polarizability of C2H2 molecule == | == Sample-2: Polarizability of C2H2 molecule == | ||
| − | * input file ( | + | * input file (C2H2_rt_response.inp) |
** [[Explanations for C2H2_rt_response input files]] | ** [[Explanations for C2H2_rt_response input files]] | ||
| − | * output files ( | + | * output files (C2H2-RT.data, C2H2-ALP.data) |
** [[Explanations for C2H2_rt_response output files]] | ** [[Explanations for C2H2_rt_response output files]] | ||
== Sample-3: Electron dynamics of C2H2 molecule under pulsed electric field == | == Sample-3: Electron dynamics of C2H2 molecule under pulsed electric field == | ||
| − | * input file ( | + | * input file (C2H2_rt_pulse.inp) |
** [[Explanations for C2H2_rt_pulse input files]] | ** [[Explanations for C2H2_rt_pulse input files]] | ||
| − | * output files ( | + | * 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 21:32, 13 June 2017
Contents
- 1 Sample-1: Ground state of C2H2 molecule
- 2 Sample-2: Polarizability of C2H2 molecule
- 3 Sample-3: Electron dynamics of C2H2 molecule under pulsed electric field
- 4 Sample-4: Ground state and dielectric function of crystalline silicon
- 5 Sample-5: Ground state and electron dynamics of crystalline silicon under pulsed electric field
- 6 Sample-6: Coupled multiscale calculation of electrons and electromagnetic fields in crystalline silicon
Sample-1: Ground state of C2H2 molecule
- input file (C2H2_gs.inp)
- pseudo potential files (C_rps.dat, H_rps.dat)
- output files (C2H2.info, dns.cube, elf.cube, psi1.cube, dos.data, pdos1.data)
- images generated by cube files (from left, highest occupied molecular orbital (HOMO), electron density, electron localization function (ELF))
Sample-2: Polarizability of C2H2 molecule
- input file (C2H2_rt_response.inp)
- output files (C2H2-RT.data, C2H2-ALP.data)
Sample-3: Electron dynamics of C2H2 molecule under pulsed electric field
- input file (C2H2_rt_pulse.inp)
- output files (C2H2-RT.data, C2H2-ALP.data)
Sample-4: Ground state and dielectric function of crystalline silicon
- input file (Si_sc_response.inp)
- pseudo potential files (Si_rps.dat)
- output files (aaa, bbb, ccc)
Sample-5: Ground state and electron dynamics of crystalline silicon under pulsed electric field
- input file (Si_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 (Si_ms.inp)
- pseudo potential files (Si_rps.dat)
- output files (aaa, bbb, ccc)
