Difference between revisions of "Samples"
From salmon
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** [[Explanations for the output files]] | ** [[Explanations for the output files]] | ||
| − | == Sample-4: Ground state and | + | == Sample-4: Ground state and dielectric function calculation of crystalline silicon == |
* input file ([[silicon_sc_response.inp]]) | * input file ([[silicon_sc_response.inp]]) | ||
* pseudo potential files ([[Si_rps.dat]]) | * pseudo potential files ([[Si_rps.dat]]) | ||
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** [[Explanations for the output files]] | ** [[Explanations for the output files]] | ||
| − | == Sample-5: Ground state and | + | == Sample-5: Ground state and electron dynamics calculation of crystalline silicon under time-dependent electric field == |
* input file ([[silicon_sc_pulse.inp]]) | * input file ([[silicon_sc_pulse.inp]]) | ||
* pseudo potential files ([[Si_rps.dat]]) | * pseudo potential files ([[Si_rps.dat]]) | ||
Revision as of 22:43, 10 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)
- pseudo potential files (C_rps.dat, H_rps.dat)
- output files (aaa, bbb, ccc)
Sample-2: Polarizability and oscillator strength distribution of acetylene molecule
- input file (acetylene_response.inp)
- output files (aaa, bbb, ccc)
Sample-3: Electron dynamics calculation of acetylene molecule under time-dependent electric field
- input file (acetylene_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)
