mirror of
https://github.com/triqs/dft_tools
synced 2024-12-23 21:03:45 +01:00
34 lines
1.2 KiB
Python
34 lines
1.2 KiB
Python
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from matplotlib import *
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import matplotlib.pyplot as plt
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import numpy as np
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filename = 'spaghettis_to_plot.dat' # Name of file
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emin = -1.0 # Minimum of energy range to plot
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emax = 1.5 # Maximum of energy range to plot
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zmin = 0.0 #z.min() # Minimum of colour range
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zmax = 5.0 #z.max() # Maximum of colour range
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kpos = [0, 50, 100, 150, 200] # Position of high-symmetry k-point
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kname = ['M', 'G', 'X', 'Z', 'M'] # Name of high-symmetry k-point
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b = np.loadtxt(filename)
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n_k = int(b[:,0][-1] + 1)
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mesh_size = len(b[:,0])/n_k
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klist = b[:,0][::mesh_size]
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elist = b[:,1][0:mesh_size]
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x,y = np.meshgrid(klist,elist)
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z = b[:,2].reshape(n_k,mesh_size)
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fig, ax = plt.subplots()
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p = ax.pcolormesh(x,y,z.T, cmap=cm.Blues, vmin=zmin, vmax=zmax)
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cb = fig.colorbar(p, ax=ax)
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ax.set_xlim(klist.min(),klist.max())
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ax.set_ylim(emin,emax)
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ax.hlines(0.0,0,n_k-1)
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plt.title(filename,fontsize=24)
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for i in kpos: ax.vlines(i,emin,emax,alpha=0.5)
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plt.xticks(kpos,kname,fontsize=16)
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plt.ylabel('Energy (%s)'%'eV', fontsize=18)
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plt.yticks(fontsize=16)
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plt.grid()
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plt.savefig(''.join(kname)+'_'+filename.replace('dat','png'),bbox_inches='tight')
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