OK, and thanks. On Fri, Jun 3, 2011 at 12:35 AM, Руслан Жачук <[email protected]> wrote: > The LDOS file can be opened directly in WSxM program (freeware) under > Windows > Try this > > > 2011/6/2 Ian Shuttleworth <[email protected]> >> >> I am tring to plot the LDOS using molekel. I dont want to use Xcrysden for >> this. >> >> I am using Siesta 3.0-b. >> >> I am currently taking the generated LDOS file and processing it using >> the attached grid2cube.f util to convert the file to CUBE format. As a >> further check, I've tried processing RHO/DRHO files using the same >> utility. >> >> Either way, the output from the grid2cube processing doesnt make >> sense. The molekel functions that I plot are, well, meaningless. >> >> The grid2cube file is the version that came bundled with siesta 3.0-b. >> >> My only guess is that maybe there has been a change in the grid format >> produced by siesta that maybe hasnt been carried across to this >> utility, though I've compared the grid2cube file with 3.0-b and it >> seems the same. >> >> Has anyone got any ideas? > >
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