def save_plot_band_structure(self,
filename,
img_format="eps",
units="thz",
ylim=None):
plotter = PhononBSPlotter(bs=self.phonon_band_structure_pymatgen)
plotter.save_plot(filename,
img_format=img_format,
units=units,
ylim=ylim)
def process_item(self, item):
mp_id = item['mp-id']
self.logger.debug("Processing {}".format(mp_id))
decoder = MontyDecoder()
ph_bs = decoder.process_decoded(item['ph_bs'])
web_doc = ph_bs.as_phononwebsite()
plotter = PhononBSPlotter(ph_bs)
ylim = (0, max(py_.flatten_deep(plotter.bs_plot_data()['frequency'])))
filelike = io.BytesIO()
plotter.save_plot(filelike, ylim=ylim, img_format="png")
image = Binary(filelike.getvalue())
filelike.close()
return dict(mp_id=mp_id, web_doc=web_doc, image=image)
def plot_phonon_bands(self, filename = None, ylim=None, units='thz'):
bs = get_ph_bs_symm_line(os.path.join(self.wd, self.dfpt_folder+'/band.yaml'))
plotter = PhononBSPlotter(bs)
if filename==None:
filename = os.path.join(self.wd, self.dfpt_folder+'/'+self.kpath_name+'.eps')
plotter.save_plot(filename, ylim=ylim, units=units)