def __init__(self,filename):
mat = bt.readmat(filename)
nb = int(mat[-1,0])
nk = int(mat[-1,1])
eigs = mat[:,2]
self.eigs = np.reshape(eigs,(nb,nk), order='F')
import matplotlib.pyplot as plt
import bandtools as bt
import units as un
import numpy as np
datx = bt.readmat("ramantot.dat")
#expt = bt.readmat("/home/lztan/science/feti/halide_perov/expt/cspbi3_300k.csv")
wmin = -200
wmax = 200
nw = 400
ws = np.linspace(wmin, wmax, nw)
thy = bt.broaden(datx[:, 0] * 1000 / 0.1241, datx[:, 1], wmin, wmax, nw, 2.0)
plt.plot(thy[:, 0], thy[:, 1] / 10, "ro-", label="Theory (300K)")
#plt.plot(expt[:,0],expt[:,1]*2000,"k-",label="Expt. (300K)")
plt.legend(fontsize=14)
plt.xlim((-200, 200))
plt.ylim((0, 5000))
plt.xlabel(r"$\omega$ (cm$^{-1}$)")
plt.ylabel(r"Raman Spectrum")
plt.show()
import matplotlib.pyplot as plt
import bandtools as bt
import units as un
import numpy as np
datx = bt.readmat("ramantot.dat")
#expt = bt.readmat("/home/lztan/science/feti/halide_perov/expt/cspbi3_300k.csv")
wmin = -200
wmax = 200
nw = 400
ws = np.linspace(wmin,wmax,nw)
thy = bt.broaden(datx[:,0]*1000/0.1241,datx[:,1],wmin,wmax,nw,2.0)
plt.plot(thy[:,0],thy[:,1]/10,"ro-",label="Theory (300K)")
#plt.plot(expt[:,0],expt[:,1]*2000,"k-",label="Expt. (300K)")
plt.legend(fontsize=14)
plt.xlim((-200,200))
plt.ylim((0,5000))
plt.xlabel(r"$\omega$ (cm$^{-1}$)")
plt.ylabel(r"Raman Spectrum")
plt.show()