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Online GUI

Ondřej Krejčí edited this page Apr 7, 2026 · 1 revision

Can be found here.

image

Parameters explanation.

View:

  • Plane height: how high the scan-was taken with: Take into account sample atom size (1st number ), oxygen atomic size, the probe-particle - metal tip length = R_tip (and where in z the space if not shift Z).
  • Scale: how big the image zoom is.
  • Center X and Center Y: you can move the image center left-right and top-bottom, with these.
  • Contrast: Adjustments of the black-white scale
  • GridA: Size of grid for deflection visualization.
  • Render mode: Several options for visualization:
    • Fz
    • dF
    • |F| residual
    • deflection HSV
    • deflection checker
    • deflection grid
    • Fz + deflection grid
  • Auto-update: Instantaneous change of images with parameters change
  • Animate:
  • Show atoms: Should position of atoms be visualized.
  • Center: Should the atomic positions be centred to the image.
  • Shift Z: Automatic shifting of atoms in z direction.

Probe params

  • Preset: Several options for tip parameters
    • (custom)
    • O
    • Xe
    • Cl
  • Q: charge (works only, if atomic (projection of) charges are provided) in e.
  • Pz: dipopole in z direction (works only, if atomic (projection of) charges are provided) in e*Angstrom.
  • Qzz: quadrupole in z direction (works only, if atomic (projection of) charges are provided) in e*Angstrom2.
  • Rpp: Probe-particle (PP) size
  • Epp: PP attractive energy minimum.

Stiffness:

  • k_lat: spring stiffness acting on PP in x and y dictions in ???? .
  • k_rad: spring stiffness acting on PP in radial dictions in ???? .
  • R_tip: length between PP centre and metal-tip apex

F -> df:

  • Osc steps: ???
  • dz: integration step in z direction
  • Amp: peak-to-peak amplitude of the tip

xyz molecule:

Several examples are prepared, but one can also upload own xyz file from his device. Max of ~200 atoms!!

Geometry tools

  • Shift Z->0: All atoms to be shifted in z so the highest atoms is at z=0.
  • Flatten Z: All atoms's z = 0
  • Align PCA: ##Atom LJ params (R,E)

Params file

You can upload your own file

table bellow:

| element Z | vdW atomic size | attractive energy minimum | visualisation color in hex |

Thanks:

To Prokop Hapala!

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