dosplotter = DosPlotter()
Totaldos = dosplotter.add_dos('Total DOS', tdos)
Integrateddos = dosplotter.add_dos('Integrated DOS', idos)
#Pdos = dosplotter.add_dos('Partial DOS',pdos)
#Spd_dos = dosplotter.add_dos('spd DOS',spd_dos)
#Element_dos = dosplotter.add_dos('Element DOS',element_dos)
#Element_spd_dos = dosplotter.add_dos('Element_spd DOS',element_spd_dos)
dos_dict = {
'Total DOS': tdos,
'Integrated DOS': idos
} #'Partial DOS':pdos,'spd DOS':spd_dos,'Element DOS':element_dos}#'Element_spd DOS':element_spd_dos
add_dos_dict = dosplotter.add_dos_dict(dos_dict)
get_dos_dict = dosplotter.get_dos_dict()
dos_plot = dosplotter.get_plot()
##dosplotter.save_plot("MAPbI3_dos",img_format="png")
##dos_plot.show()
bsplotter = BSPlotter(bs)
bs_plot_data = bsplotter.bs_plot_data()
bs_plot = bsplotter.get_plot()
#bsplotter.save_plot("MAPbI3_bs",img_format="png")
#bsplotter.show()
ticks = bsplotter.get_ticks()
print ticks
bsplotter.plot_brillouin()
bsdos = BSDOSPlotter(
tick_fontsize=10,
egrid_interval=20,
dos_projection="orbitals",
bs_legend=None) #bs_projection="HPbCIN",dos_projection="HPbCIN")
bds = bsdos.get_plot(bs, cdos)
# !/usr/bin/env python
# -*- coding: utf-8 -*-
from pymatgen.io.vasp.outputs import Vasprun
from pymatgen.electronic_structure.plotter import BSPlotter
vasprun = Vasprun("vasprun.xml")
bss = vasprun.get_band_structure(kpoints_filename="KPOINTS", line_mode=True)
plotter = BSPlotter(bss)
#plotter.save_plot("bandStructure.svg", img_format="svg")
#plotter.save_plot("bandStructure.png", img_format="png")
#plotter.save_plot("lim_bandStructure.svg", img_format="svg", ylim=(-.2, 1.4))
plotter.save_plot("MAPbI3-primitive.png", img_format="png", ylim=(-5, 5))
plotter.plot_brillouin()
vbm = bs.as_dict()['vbm']['energy']
efermi = bs.as_dict()['efermi']
cbm = bs.as_dict()['cbm']['energy']
if bs.get_band_gap()['direct'] == False:
bgtype = 'Indirect'
else:
bgtype = 'Direct'
bg = bs.get_band_gap()['energy']
bgpath = bs.get_band_gap()['transition']
"""
Plot Brillouin Zone
"""
bsplot.plot_brillouin()
plt.savefig('plots/brillouin_fig.pdf')
"""
# Another plot type
bsplot_proj = BSPlotterProjected(bs)
bsplot_proj.get_elt_projected_plots(vbm_cbm_marker = True)
# bsplot_proj.get_projected_plots_dots({"Ti":["s","p","d"], "O":["s", "p"]}, ylim = [-5,5], vbm_cbm_marker = True)
"""
"""
# Getting raw data for specific bands & kpts
from pymatgen import Spin
data = bsplot.bs_plot_data()
