Difference between revisions of "Samples"
From salmon
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== Sample-1: Ground state calculation of acetylene (C2H2) molecule == | == Sample-1: Ground state calculation of acetylene (C2H2) molecule == | ||
| − | * input file ([[acetylene_gs.inp]]) | + | * input file ([[acetylene_gs.inp]], [[acetylene_coor.data]]) |
* pseudo potential files ([[C_rps.dat]], [[H_rps.dat]]) | * pseudo potential files ([[C_rps.dat]], [[H_rps.dat]]) | ||
** [[Explanations for the input file]] | ** [[Explanations for the input file]] | ||
| − | * output files ([[ | + | * output files ([[C2H2.info]], [[density.cube]], [[dns.cube]], [[elf.cube]], [[psi1.cube]], [[dos.data]], [[pdos1.data]]) |
** [[Explanations for the output files]] | ** [[Explanations for the output files]] | ||
== Sample-2: Polarizability and oscillator strength distribution of acetylene molecule == | == Sample-2: Polarizability and oscillator strength distribution of acetylene molecule == | ||
| − | * input file ([[ | + | * input file ([[acetylene_rt_response.inp]]) |
** [[Explanations for the input file]] | ** [[Explanations for the input file]] | ||
* output files ([[aaa]], [[bbb]], [[ccc]]) | * output files ([[aaa]], [[bbb]], [[ccc]]) | ||
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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 ([[ | + | * input file ([[acetylene_rt_pulse.inp]]) |
** [[Explanations for the input file]] | ** [[Explanations for the input file]] | ||
* output files ([[aaa]], [[bbb]], [[ccc]]) | * output files ([[aaa]], [[bbb]], [[ccc]]) | ||
Revision as of 11:31, 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 (acetylene_gs.inp, acetylene_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 (acetylene_rt_response.inp)
- output files (aaa, bbb, ccc)
Sample-3: Electron dynamics calculation of acetylene molecule under time-dependent electric field
- input file (acetylene_rt_pulse.inp)
- output files (aaa, bbb, ccc)
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)
