Ground-state SCF cycle¶
This example shows how to plot the results of the GS self-consistent cycle reported in the main output file.
from abipy.abilab import abiopen import abipy.data as abidata # Open the output file with GS calculation (Note the .abo extension). # Alternatively, one can use `abiopen.py run.abo -nb` # to generate a jupyter notebook. abo = abiopen(abidata.ref_file("refs/si_ebands/run.abo")) # Plot all SCF-GS sections found in the output file. # Use abo.next_d2de_scf_cycle() for DFPT cycles. scf_cycle = abo.next_gs_scf_cycle() if scf_cycle is not None: scf_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 0.154 seconds)