Dear siesta users, I need to plot the partial charge density (squared wave function) at high symmetry k-points other than Gamma (K, M) of a hexagonal surface lattice. In the energy range of my interst, no eigenvalues at Gamma point at all.
The Denchar manual says that it can plot wave functions at Gamma point only. But. Siesta can output wave function coefficients for any k-point. When this generated WFS file is fed to Denchar utility it complains that k-point is not Gamma, but still produce some output. What is this output? Is this the real part of wavefunction without imaginary part? I need to look at the shape of partial charge density, not wave function. Is there a way to solve this problem in Siesta? Kind regards Ruslan
