#!/Users/ponet/tools/anaconda3/envs/PhD/bin/python
import DFTools.plotter as plotter
if __name__ == "__main__":
import sys
sysarg = sys.argv
plot = plotter.Plotter()
erange = []
tmp = sysarg[2].split(',')
erange.append(float(tmp[0]))
erange.append(float(tmp[1]))
plot.plot_bands(str(sysarg[1]),energy_range=erange)
plot.overlay_pdos("{}".format(sysarg[3]),sysarg[4])
plot.save(sysarg[5])
.format(i))
meshes1.append(mesh_)
origin = origins[0]
a_span_array = a_span_arrays[0]
b_span_array = b_span_arrays[0]
c_span_array = c_span_arrays[0]
grid = plotter.wrap.generate_grid(origin, a_span_array, b_span_array,
c_span_array)
dipoles = []
dipoles1 = []
for mesh in meshes:
dipoles.append(plotter.wrap.calculate_intracell_dipole(mesh, mesh, grid))
for mesh in meshes1:
dipoles1.append(plotter.wrap.calculate_intracell_dipole(mesh, mesh, grid))
set_ = []
set_1 = []
for dip in dipoles:
set_.append(dip[2].real)
for dip in dipoles1:
set_1.append(dip[2].real)
plot = plotter.Plotter(w=15)
plot.plot_set(set_, c='b')
plot.plot_set(set_1, c='r')
# plot.plot_set(set_01,colour='m')
# plot.plot_set(set_11,colour='m')
plot.save(
"/Users/ponet/Documents/Fysica/PhD/GeTe/colin/cut3D/b19_20/dipoles_s1.png")