Hi all, In pp.x, if plot_num=0, we can get the total charge density data, and if we set output_format to be 3, it seems that we can also set the density of meshgrid as described by the Document for PP. However, whatever I change the nx, ny and nz numbers to be, the density of meshgrid won't change. Does anyone know the reasons and how to change the density of meshgrid?
Another question is how the charge density data is arrayed in the X.rho.dat? Or in other words, are they cycling in x, y, z order? Best, Ruibin -- *Liu, Ruibin* Department of Chemistry Duke University Durham, NC, 27708 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130226/43d1cd90/attachment.html
