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
