Quantum Package
2.0

Introduction

  • Installation
  • Selected Configuration Interaction

User's guide

  • Quick-start guide
  • Interfaces
  • Excited states
  • Natural orbitals
  • Printing the near-FCI wave function
  • Working with external plugins
  • qp_plugins
  • Index of commands
  • Index of programs
    • cis
    • cisd
    • diagonalize_h
    • fci
    • fcidump
    • four_idx_transform
    • ks_scf
    • molden
    • print_e_conv
    • print_wf
    • pt2
    • rs_ks_scf
    • save_natorb
    • save_one_e_dm
    • save_ortho_mos
    • scf
    • write_integrals_erf

Programmer's guide

  • Programming in the Quantum Package
  • EZFIO
  • Developing plugins
  • Index for programmers
  • Developing plugins

Appendix

  • Benchmarks
  • Some research made with the Quantum Package
  • License
  • Contributors
Quantum Package
  • Docs »
  • Index of commands »
  • print_wf
  • View page source

print_wfΒΆ

Print the ground state wave function stored in the EZFIO folder in the intermediate normalization.

It also prints a lot of information regarding the excitation operators from the reference determinant

and a first-order perturbative analysis of the wave function.

If the wave function strongly deviates from the first-order analysis, something funny is going on :)

Needs:

  • read_wf

Calls:

  • routine()

Touches:

  • read_wf
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