This example shows how to plot the results of the DFPT self-consistent cycle reported in the main output file.

  • plot dfpt cycle
  • plot dfpt cycle
  • plot dfpt cycle
from abipy.abilab import abiopen
import abipy.data as abidata

# Open the output file with DFPT calculations (Note the .abo extension).
# Alternatively, one can use `abiopen.py run.abo -nb` to generate a jupyter notebook.
abo = abiopen(abidata.ref_file("refs/gs_dfpt.abo"))

# Plot all SCF-GS sections found in the output file.
while True:
    dfpt_cycle = abo.next_d2de_scf_cycle()
    if dfpt_cycle is None: break

# If timopt -1, we can extract the timing and plot the data.
#timer = abo.get_timer()


Total running time of the script: ( 0 minutes 0.800 seconds)

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