Python 画沿着高对称性的能带图

将能带图沿着高对称性处理为二维数组形式,然后依次画点连线,为了美观,而需要自己加线

import numpy as np
import matplotlib.pylab as plt

eig_vbm= -1.3286 # fermi energy level in scf output for metals
eig = np.load('eig.npy')
eig = eig - eig_vbm
nks = 111
nbnd = 25
ymin=-80
ymax=10
lw=0.5 # line width

for i in range(nbnd):
    line1=plt.plot(np.arange(0,nks), eig[:,i],color='grey',linewidth=lw)

# 只画第15条
#line1=plt.plot(np.arange(0,nks), eig[:,14]-eig_vbm,color='grey',linewidth=lw)
vline=[0,40,70,110]
#vline=dline
for i in range(len(vline)):
    plt.axvline(x=vline[i], ymin=ymin, ymax=ymax,linewidth=lw,color='black')
plt.xlim([0,nks-1]) # 201 points
plt.ylim([ymin,ymax])

plt.ylabel(r'E (eV)',fontsize=16)
plt.xticks((0,40,70,110), (r'${\Gamma}$', 'M', 'K', r'${\Gamma}$'))

plt.ylim([-7,3])
plt.show()

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转载自blog.csdn.net/wwxy1995/article/details/112789355