Tutorial-v.1.0.0
From salmon
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, File:C2H2 gs v1 0 0.zip)
- pseudo potential files (C_rps.data, H_rps.data, File:Pseudopotentials C2H2.zip)
- an output file (C2H2.info, File:C2H2 info v1 0 0.zip) and additional output files (File:C2H2 gs output v1 0 0.zip)
- images generated by cube files (psi: highest occupied molecular orbital (HOMO), dns: electron density, ELF: electron localization function)
Sample-2: Polarizability of C2H2 molecule
- input file (C2H2_rt_response.inp, File:C2H2 rt response v1 0 0.zip)
- pseudo potential files (C_rps.data, H_rps.data, File:Pseudopotentials C2H2.zip)
- output files (C2H2-RT.data, C2H2-ALP.data, File:C2H2 response data v1 0 0.zip)
Sample-3: Electron dynamics of C2H2 molecule under pulsed electric field
- input file (C2H2_rt_pulse.inp, File:C2H2 rt pulse v1 0 0.zip)
- pseudo potential files (C_rps.data, H_rps.data, File:Pseudopotentials C2H2.zip)
- output files (C2H2-RT.data, C2H2-ALP.data, File:C2H2 pulse data v1 0 0.zip)
Sample-4: Ground state and dielectric function of crystalline silicon
- input file (Si_sc_response.inp)
- pseudo potential files ( Si_rps.dat)
- output files
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 ( Si_sc_pulse.out, Si_sc_pulse_j_ac.out
Sample-6: Coupled multiscale calculation of electrons and electromagnetic fields in crystalline silicon
- input file ( Si_ms_pulse.inp)
- pseudo potential files ( Si_rps.dat)
- output files(Si_ms_pulse.out, Si_ms_pulse_Ac_000000.out)
