WFN_SYM


The symmetry of the target wavefunction, specified either by Schönflies symbol, or irrep number (in Cotton ordering)

  • Type: string
  • Possible Values: A, AG, AU, AP, APP, A1, A2, B, BG, BU, B1, B2, B3, B1G, B2G, B3G, B1U, B2U, B3U, 0, 1, 2, 3, 4, 5, 6, 7, 8
  • Default: 1