Hi A question related to system.HS/system.HSX files: If I would like to get the overlap matrix of some non-scf data, say I have one grid of k-points to sample BZ for convergence and another set of "speial" k-points for which I would like the overlap matrix to correspond. a. Is this possible to do in SIESTA? b. I assumed that if I write the file system.WFSX, the overlap matrix should correspond to the content of this file, is it true? Thanks, D.
- [SIESTA-L] system.HSX files Doron Naveh
- [SIESTA-L] basis set overlap matrix Doron Naveh
- Re: [SIESTA-L] basis set overlap matrix Peter Koval
- Re: [SIESTA-L] basis set overlap matrix Doron Naveh
- Re: [SIESTA-L] basis set overlap matri... Peter Koval
- Re: [SIESTA-L] basis set overlap matrix Magdalena Birowska
