In the trunk version you can check the file Src/m_hs_matrix.F90, while you can check the io routines that reads the HSX file on how to retrieve the sparse matrix in the HSX files.
2015-09-20 2:10 GMT+00:00 peter <[email protected]>: > Hi, > I need to get the Hamiltonian and Overlap matrix from the HSX file. My > questions are divided into two parts: > 1. Is there any existing code that can extract the Hamiltonian and Overlap > matrix from HSX file? I guess that these matrices may be in sparse format, > but I indeed need these matrices in the full format. > 2. If there is no code written for this purpose, is there useful hints > helping me to write one? > > best, > Yun-Peng > -- Kind regards Nick
