"""Original explanatory diagram; tested with Python 3.14, NumPy 2.3.5 and Matplotlib 3.10.7.""" from pathlib import Path import matplotlib matplotlib.use('Agg') import matplotlib.pyplot as plt import numpy as np plt.rcParams.update({'font.size':10,'axes.spines.top':False,'axes.spines.right':False}) x=np.linspace(0,1,800) fig,axes=plt.subplots(1,2,figsize=(9.5,3.7),layout='constrained') for ax,sign in zip(axes,[1,-1]): first=2*np.cos(2*np.pi*x);second=1.4*sign*np.cos(4*np.pi*x) ax.plot(x,first,label='First harmonic',color='#2166ac') ax.plot(x,second,label='Second harmonic',color='#d6604d') ax.plot(x,4+first+second,label='Positive mean + sum',color='#222',lw=2) ax.axvline(.5,color='.7',ls=':',lw=1) ax.set(xlabel='Fractional coordinate x',ylabel='Illustrative density contribution', title='Positive second harmonic' if sign==1 else 'Negative second harmonic') axes[0].legend(fontsize=8) fig.suptitle('A positive second harmonic reinforces the first harmonic at atomic maxima') fig.savefig(Path.cwd()/(Path(__file__).stem+'.png'),dpi=155,facecolor='white') plt.close(fig)