Difference between revisions of "Samples"
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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]] |
| + | * pseudo potential files ([[C_rps.dat]], [[H_rps.dat]]) | ||
** [[Explanations for the input file]] | ** [[Explanations for the input file]] | ||
| − | * [[ | + | * output files ([[aaa]], [[bbb]], [[ccc]]) |
** [[Explanations for the output files]] | ** [[Explanations for the output files]] | ||
Revision as of 21:56, 10 June 2017
Contents
- 1 Sample-1: Ground state calculation of acetylene (C2H2) molecule
- 2 Sample-2: Real-time calculation for polarizability and oscillator strength distribution of acetylene molecule
- 3 Sample-3: Real-time electron dynamics calculation of acetylene molecule under time-dependent electric field
- 4 Sample-4: Ground state and real-time dielectric function calculation of crystalline silicon
- 5 Sample-5: Ground state and real-time electron dynamics calculation of crystalline silicon under time-dependent electric field
- 6 Sample-6: Coupled multi scale 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: Real-time calculation for polarizability and oscillator strength distribution of acetylene molecule
- Explanations for input and output files
- Download input and output files
Sample-3: Real-time electron dynamics calculation of acetylene molecule under time-dependent electric field
- Explanations for input and output files
- Download input and output files
Sample-4: Ground state and real-time dielectric function calculation of crystalline silicon
- Explanations for input and output files
- Download input and output files
Sample-5: Ground state and real-time electron dynamics calculation of crystalline silicon under time-dependent electric field
- Explanations for input and output files
- Download input and output files
Sample-6: Coupled multi scale calculation of electrons and electromagnetic fields in crystalline silicon
- Explanations for input and output files
- Download input and output files
