update

2021.05.07_Quantum_Espresso/silicon/plot_bands.py

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+import matplotlib.pyplot as plt
+import numpy as np
+
+plt.rcParams["figure.dpi"]=150
+plt.rcParams["figure.facecolor"]="white"
+plt.rcParams["figure.figsize"]=(8, 6)
+
+# load data
+data = np.loadtxt('./si_bands.dat.gnu')
+
+k = np.unique(data[:, 0])
+bands = np.reshape(data[:, 1], (-1, len(k)))
+
+for band in range(len(bands)):
+    plt.plot(k, bands[band, :], linewidth=1, alpha=0.5, color='k')
+plt.xlim(min(k), max(k))
+
+# Fermi energy
+plt.axhline(6.6416, linestyle=(0, (5, 5)), linewidth=0.75, color='k', alpha=0.5)
+# High symmetry k-points (check bands_pp.out)
+plt.axvline(0.8660, linewidth=0.75, color='k', alpha=0.5)
+plt.axvline(1.8660, linewidth=0.75, color='k', alpha=0.5)
+plt.axvline(2.2196, linewidth=0.75, color='k', alpha=0.5)
+# text labels
+plt.xticks(ticks= [0, 0.8660, 1.8660, 2.2196, 3.2802], \
+           labels=['L', '$\Gamma$', 'X', 'U', '$\Gamma$'])
+plt.ylabel("Energy (eV)")
+plt.text(2.3, 5.6, 'Fermi energy')
+plt.savefig('si_bands.jpg')
+plt.show()