Dear Lihui Ou, maybe you already considered this, but running plotrho.x interactively may help. Indeed, the detailed input of such program depends on a few conditions, for example if there's negative charge you will not be asked whether to use logarithmic scale. Hope this helps. Guido
On Tue, 11 Dec 2007, oulihui666 wrote: > Dear pwscf users, > I have a question, quite naive. I tried to search the charge density of > oxygen molecular, but I have to rely on your advice. as well as I know,the > calculation procedes as follows: > 1) make a self-consistent calculation (input=O2.scf.in) > 2) run the postprocessing program pp.x (input=O2.pp_rho.in) > 3) run plotrho.x program (input=O2.plotrho.in, output=O2.plotrho.out)in order > to produce a postscript file: O2.rho.ps. [...] > (3)plotrho.x program > O2.rho.dat > O2.rho.ps > n > 0 0.09 6 > However, when I calculated (3), in order to produce a postscript file: > O2.rho.ps, I encounter a problem, it displayed as follows: > > "PGFIO-F-225/list-directed read/unit=5/lexical error--unknown token type. > File name = stdin Formatted, sequential access record = 3 > In source file plotrho.F90, at line number 129." > Any suggestions is appreciated. > > Thank you in advance > Lihui Ou -- Guido Fratesi Dipartimento di Scienza dei Materiali Universita` degli Studi di Milano-Bicocca
