Samples

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
• output files (aaa, bbb, ccc)
  • Explanations for the output files

Sample-2: Real-time calculation for polarizability and oscillator strength distribution of acetylene molecule

• input file (acetylene_response.inp)
  • Explanations for the input file
• output files (aaa, bbb, ccc)
  • Explanations for the output files

Sample-3: Real-time electron dynamics calculation of acetylene molecule under time-dependent electric field

• input file (acetylene_pulse.inp)
  • Explanations for the input file
• output files (aaa, bbb, ccc)
  • Explanations for the output files

Sample-4: Ground state and real-time dielectric function calculation of crystalline silicon

• input file ([silicon_sc_response.inp]])
  • Explanations for the input file
• output files (aaa, bbb, ccc)
  • Explanations for the output files

Sample-5: Ground state and real-time electron dynamics calculation of crystalline silicon under time-dependent electric field

• input file ([silicon_sc_pulse.inp]])
  • Explanations for the input file
• output files (aaa, bbb, ccc)
  • Explanations for the output files

Sample-6: Coupled multi scale calculation of electrons and electromagnetic fields in crystalline silicon

• input file ([silicon_ms.inp]])
  • Explanations for the input file
• output files (aaa, bbb, ccc)
  • Explanations for the output files