Change here the volume representation for a single orbital or a list of orbitals.
To modify an orbital, click over its graphic image, or write its id on
the
Orbital entry. To modify a list of orbitals, press the button
List (after creating the list of orbitals with
Orbital->Select).
Parameters for empty entries or
Local choices remain unchanged.
To change an orbital name write the new name in the
Orbital entry,
followed by the orbital number (GAMGI needs the number to identify the orbital).
To change the name for a list of orbitals, press
List first
and then write the new common name in the
Name entry.
Phase
When
Phase is switched on (the default), the orbital is
represented with two colors, to distinguish places where the wave
function is positive and negative. When
Phase is switched off,
the whole orbital is represented with just one color.
Frame
When
Frame is switched on (the default), a cubic frame
is shown around the orbital, with a edge length equal to twice
the sampling
Radius defined in the
Model page.
When
Frame is switched off, no frame is shown.
Octants
Often it is useful to show only parts of the orbital.
In GAMGI each orbital is divided in 8 octants, four above
the xy plane, marked as positive, and four below, marked
as negative. The four octants, above and below, are numbered
increasing in a counter-clockwise pattern, as usual in trigonometry.
To set which orbital octants should be represented,
switch on / off each of the eight octant buttons.
By default all octants are shown.
Axes
When
Axes is set to
Radius, axes are shown
with the radius length (when
Frame is disabled) or
the diameter length (when
Frame is enabled). When
Axes is set to
Bohr, axes are shown with
the length of Bohr first radius. When
Axes is set
to
Unit, axes are shown with a unit length. When
Axes is set to
None, no axes are shown
(the default).
When
Frame is enabled (the default), axes are positioned
along the frame edges, starting from the xyz lower corner. When
Frame is disabled, axes start from the orbital center.
The options
Bohr and
Unit are useful only for
small orbitals, otherwise the axes are barely visible.