DFPT SCF cycle¶
This example shows how to plot the results of the DFPT self-consistent cycle reported in the main output file.
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 dfpt_cycle.plot() # If timopt -1, we can extract the timing and plot the data. #timer = abo.get_timer() #timer.plot_pie() abo.close()
Total running time of the script: ( 0 minutes 0.800 seconds)