plt.contourf(X, Y, d_yx, 40) plt.colorbar() for atom in atom_a: pos = atom['pos'] plt.scatter(pos[2], pos[0], s=50, c='k', marker='o') plt.xlabel(xlabel) plt.ylabel(ylabel) plt.xlim([x[0], x[-1]]) plt.ylim([y[0], y[-1]]) ax.set_aspect('equal') # Read InducedField object as standard numpy arrays, so # - no GPAW's GridDescriptor is required # - this code is not parallel safe data = read_data('na2_td_field.ind') # Choose array w = 1 # Frequency index freq = data['freq_w'][w] # Frequency box = np.diag(data['cell_cv']) # Calculation box d_g = data['Ffe_wg'][w] # Data array ng = d_g.shape # Size of grid atom_a = data['atom_a'] # Atoms do_plot(d_g, ng, box, atom_a) plt.title('Field enhancement @ %.2f eV' % freq) plt.savefig('na2_td_Ffe.png', bbox_inches='tight') # Imaginary part of density d_g = data['Frho_wg'][w].imag
plt.contourf(X, Y, d_yx, 40) plt.colorbar() for atom in atom_a: pos = atom['pos'] plt.scatter(pos[2], pos[0], s=50, c='k', marker='o') plt.xlabel(xlabel) plt.ylabel(ylabel) plt.xlim([x[0], x[-1]]) plt.ylim([y[0], y[-1]]) ax.set_aspect('equal') # Read InducedField object as standard numpy arrays, so # - no GPAW's GridDescriptor is required # - this code is not parallel safe data = read_data('na2_casida_field.ind') # Choose array w = 1 # Frequency index freq = data['freq_w'][w] # Frequency box = np.diag(data['cell_cv']) # Calculation box d_g = data['Ffe_wg'][w] # Data array ng = d_g.shape # Size of grid atom_a = data['atom_a'] # Atoms do_plot(d_g, ng, box, atom_a) plt.title('Field enhancement @ %.2f eV' % freq) plt.savefig('na2_casida_Ffe.png', bbox_inches='tight') # Imaginary part of density d_g = data['Frho_wg'][w].imag * 1e-3 # Multiply by kick strength