yes that is what I meant
On 24 October 2016 at 19:09, Alberto Garcia <[email protected]> wrote: > The files are of the form SystemLabel.Extension. > > In your case, input-ok-og.DIM, etc. > > Alberto > > On 24 Oct 2016, at 08:14, Marco Fronzi <[email protected]> wrote: > >> Dear Siesta Users, >> >> I am trying to plot charge density and wavefunction using denchar. >> In the working directory I put the following files from siesta4.0: >> >> .DIM >> .DM >> .PLD >> >> and I change the name of fullBZ.WFSX to .WFSX >> >> denchar input file is: >> >> SystemLabel input-ok-go >> NumberOfSpecies 3 >> %block ChemicalSpeciesLabel >> 1 6 C >> 2 1 H >> 3 15 P >> %endblock ChemicalSpeciesLabel >> Denchar.TypeOfRun 3D >> Denchar.PlotCharge T >> Denchar.PlotWaveFunctions T >> Denchar.CoorUnits bohr >> Denchar.DensityUnits Ele/bohr**3 >> Denchar.MinX -5.0 bohr >> Denchar.MaxX 5.0 bohr >> Denchar.MinY -5.0 bohr >> Denchar.MaxY 5.0 bohr >> Denchar.MinZ -5.0 bohr >> Denchar.MaxZ 5.0 bohr >> Denchar.NumberPointsX 40 >> Denchar.NumberPointsY 40 >> Denchar.NumberPointsZ 40 >> >> However, the output files only contain only zeros. >> >> Can somebody please help me how to solve this issue? >> Thanks, >> Marco >
