On Dec 10, 2009, at 14:34 , Madhura Marathe wrote: > 1) The option of 'stm_wfc_matching' is not working [...] why > was that disabled?
because it wasn't working any longer > And if necessary, can I use the wave-functions and charge density > files > from the latest version for the older version post-processing > tools, to > get this option working? no. As far as I know, it has never been working in any public version of QE. It may have worked in some old version lost (forever) in cyberspace. > 2) [...] wave-function matching option has some z and dz parameters > which probably were used to get the image corresponding to the > latter mode. > Is that correct guess? I don't think so. The idea of wavefunction matching is to fit the exponential tail of the wavefunction to an analytical function, thus reducing the noise > 3) I have seen some papers which give simulated STM images > calculated at > "constant-current" mode using QE (e.g. - Valentin, JCP 2007). So does > there exist some post-processing tool to calculate that? not that I know P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
