---/lib/python3.6/site-packages/pymatgen/electronic_structure/boltztrap2.py:810: RuntimeWarning:

divide by zero encountered in true_divide

from pymatgen.electronic_structure.boltztrap2 import *
from monty.serialization import loadfn
from pymatgen.electronic_structure.plotter import BSPlotter
import matplotlib.pyplot as plt

vrun = Vasprun('vasprun.xml',parse_projected_eigen=True)
data = VasprunBSLoader(vrun)
bs = vrun.get_band_structure()
nele = vrun.parameters['NELECT']
st = vrun.final_structure
data = VasprunBSLoader(bs,structure=st,nelect=nele)



bztInterp = BztInterpolator(data,lpfac=10,energy_range=1.5,curvature=True,
                            save_bztInterp=True,fname='bztInterp.json.gz')

bztTransp = BztTransportProperties(bztInterp,temp_r = np.arange(300,1300,300), doping=10.**np.arange(16,23),
                                   save_bztTranspProps=True,fname='bztTranspProps.json.gz')

bztPlotter = BztPlotter(bztTransp,bztInterp)

bztPlotter.plot_props('C','mu','temp',temps=[300,600,900], xlim=[-2, 7]).show()