mirror of https://github.com/triqs/dft_tools
34 lines
1.2 KiB
Python
34 lines
1.2 KiB
Python
from matplotlib import *
|
|
import matplotlib.pyplot as plt
|
|
import numpy as np
|
|
|
|
filename = 'spaghettis_to_plot.dat' # Name of file
|
|
emin = -1.0 # Minimum of energy range to plot
|
|
emax = 1.5 # Maximum of energy range to plot
|
|
zmin = 0.0 #z.min() # Minimum of colour range
|
|
zmax = 5.0 #z.max() # Maximum of colour range
|
|
kpos = [0, 50, 100, 150, 200] # Position of high-symmetry k-point
|
|
kname = ['M', 'G', 'X', 'Z', 'M'] # Name of high-symmetry k-point
|
|
|
|
b = np.loadtxt(filename)
|
|
n_k = int(b[:,0][-1] + 1)
|
|
mesh_size = len(b[:,0])/n_k
|
|
klist = b[:,0][::mesh_size]
|
|
elist = b[:,1][0:mesh_size]
|
|
x,y = np.meshgrid(klist,elist)
|
|
z = b[:,2].reshape(n_k,mesh_size)
|
|
|
|
fig, ax = plt.subplots()
|
|
p = ax.pcolormesh(x,y,z.T, cmap=cm.Blues, vmin=zmin, vmax=zmax)
|
|
cb = fig.colorbar(p, ax=ax)
|
|
ax.set_xlim(klist.min(),klist.max())
|
|
ax.set_ylim(emin,emax)
|
|
ax.hlines(0.0,0,n_k-1)
|
|
plt.title(filename,fontsize=24)
|
|
for i in kpos: ax.vlines(i,emin,emax,alpha=0.5)
|
|
plt.xticks(kpos,kname,fontsize=16)
|
|
plt.ylabel('Energy (%s)'%'eV', fontsize=18)
|
|
plt.yticks(fontsize=16)
|
|
plt.grid()
|
|
plt.savefig(''.join(kname)+'_'+filename.replace('dat','png'),bbox_inches='tight')
|