[DFTB-Plus-User] Wavelpot (Orbitals)

[nkarimov]

Hello,

I want to visualize Molecular Orbitals.

I have run waveplot_in.hsd file [1].

As a result, I got four cube files:
wp-1-1-10-abs2.cube
wp-1-1-10-real.cube
wp-abs2.cube
wp-abs2diff.cube

Next, I used VMD program to plot these orbitals.
Unfortunately, Orbital section is inactive and I can not see any 
orbitals.

Could you help me with this issue and tell me what I did incorrectly?
Also, what cube file do I need to see orbitals (wp-1-1-10-real.cube)?

Thank you,
Natalia Karimova

Chemistry Department
University of California, Irvine


[1] waveplot_in.hsd

Options = {
   TotalChargeDensity = Yes
   TotalChargeDifference = Yes
   ChargeDensity = Yes
   RealComponent = Yes
   PlottedSpins = 1:-1
   PlottedLevels = 10
   PlottedRegion =  OptimalCuboid {}

   NrOfPoints = { 50 50 50 }
   NrOfCachedGrids = -1
   Verbose = Yes
}

DetailedXML = "detailed.xml"

EigenvecBin = "eigenvec.bin"

Basis = {
   Resolution = 0.01
   <<+ "wfc.3ob-3-1.hsd"
}