dos.energy,
y2=0,
color='grey',
edgecolor='k',
lw=1)
dosax.set_ylim(0, emax)
dosax.set_yticks([])
dosax.set_xticks([])
dosax.set_xlabel("DOS", fontsize=18)
fig.savefig('Al_phonon.png')
# --- literalinclude division line ---
# from ase.io.trajectory import Trajectory
# from ase.io import write
# Write modes for specific q-vector to trajectory files:
L = path.special_points['L']
ph.write_modes([l / 2 for l in L],
branches=[2],
repeat=(8, 8, 8),
kT=3e-4,
center=True)
# Generate gif animation:
# XXX Temporarily disabled due to matplotlib writer compatibility issue.
# with Trajectory('phonon.mode.2.traj', 'r') as traj:
# write('Al_mode.gif', traj, interval=50,
# rotation='-36x,26.5y,-25z')
plt.yticks(fontsize=18)
plt.xlim(q[0], q[-1])
plt.ylim(0, 35)
plt.ylabel("Frequency ($\mathrm{meV}$)", fontsize=22)
plt.grid('on')
plt.axes([.8, .07, .17, .85])
plt.fill_between(dos_e, omega_e, y2=0, color='lightgrey', edgecolor='k', lw=2)
plt.ylim(0, 35)
plt.xticks([], [])
plt.yticks([], [])
plt.xlabel("DOS", fontsize=18)
plt.savefig('Al_phonon.png')
# Write modes for specific q-vector to trajectory files
ph.write_modes([l/2 for l in L], branches=[2], repeat=(8, 8, 8), kT=3e-4,
center=True)
# Generate png animation
from subprocess import call
from ase.io import PickleTrajectory, write
trajfile = 'phonon.mode.2.traj'
trajectory = PickleTrajectory(trajfile, 'r')
for i, atoms in enumerate(trajectory):
write('picture%02i.png' %i, atoms, show_unit_cell=2,
rotation='-36x,26.5y,-25z')
# Flatten images for better quality
call(['convert', '-flatten', 'picture%02i.png' %i, 'picture%02i.png' %i])
# Make static pdf image for pdflatex
