PRINTING(1)

NAME
printing - | Quantum Package >

Once obtained the near-FCI energy, one can also take a closer look at the wave function stored in the EZFIO database. If the wave function contains less than 10^4 determinants, you can directly read it with the qp_edit command. Just run

qp_edit file.ezfio

IMPORTANT: The qp_edit mode virtually makes human-friendly the architecture of the EZFIO database through the use of a the text editor defined by the EDITOR environment variable.

Then, look for the word hand when you are in the qp_edit mode. If the research is negative, then it means that the wave function stored in the EZFIO database is too large to be edited interactively in qp_edit mode. An alternative is to use the print_ci_vectors program:

qp_run print_ci_vectors file.ezfio > tee file.ezfio.wf

This program will, by default, print out the full set of determinants, whatever the size of the wave function stored in the EZFIO directory.

SEE ALSO: To get some additional information on the wave function, you can use the print_wf program.

AUTHOR
A. Scemama, E. Giner

COPYRIGHT
2019, A. Scemama, E. Giner