Dear Siesta users, I have a question related to the Denchar utility. When I calculate the electronic wavefunctions I have encountered with a problem. Let's consider a system consisting in N (e.g. carbon) atoms. In order to calculate the band structure I use DZP basis set (13 orbitals for an atom) and, for example, 20 k-points for sampling the BZ. In this case we will have 13*N eigenvalues for each k-point, and Denchar creates 13*N*20 files *SystemLabel*.CON.K#.WF.#.MOD (or REAL, IMAG). The problem is I don't need all these wavefunction files. Moreover, the information that is in that bunch of files is quite redundant.
Now MY QUESTION: how to control k-point in which I want the wavefunctions to be calculated, and also how to control the number of eigenstate (fist, 31st, etc), for a given k-point, for which I want the wavefunction to be calculated? Does anybody know how to perform that controlling? Many thanks for any help and your time, Artem
