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86 lines (69 loc) · 2.94 KB
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################################################################################
#
# ddplot - USER SETTINGS
# Character inputs are non-case-sensitive.
#
################################################################################
# Width and height of the application window in pixels
WinSize, 900, 700
# Zoom factor
ZoomFact, 1
# Plotting of atomic positions - either "relaxed" or "unrelaxed" configuration
# The displacements in the relaxed configuration are not scaled (real disp.)
# Example: AtomPos, relaxed, 10
# AtomPos, unrelaxed
# AtomPos, composite, 5
AtomPos, unrelaxed
# Factor for scaling the displacements. If the parameter is a value greater than
# one, the displacements are to be enlarged; if it is smaller than 1, the
# arrows will be shrunk. If you use AUTO, all displacements will be scaled such
# that the largest passes from one atom to another.
DScaleFact, 1
# Shortest arrow plotted [pixels]. If zero, all displacements will be plotted,
# no matter how they are small
Arrow.Shortest, 0
Arrow.Thickness, 1
# Coordinate system that corresponds to the data in the plot file.
# The third axis is usually parallel to the Burgers vector, the other two
# are perpendicularly to each other.
#CSys, -1,2,-1, -1,0,1, 1,1,1
# Projection vector in the Cartesian coordinate system [100], [010], [001]
ProjVector, 1, 1, 1
# Displacement component plotted
DispComponent, screw
# Print magnitudes of displacements
PrintMagDisp, off
# The different graphical appareance of atoms correspond to either the
# different layers (layer) or different types of atoms (type) - see the
# settings Atom.*
ADistinguish, layer
# Print the numbers of atoms ?
AtomNumbers, off
# Associates the atomic names to the numbers in the plot file
AName, 0, Mo
#AName, 0, Ti
#AName, 1, Al
# Appearance of the atoms in each atomic layer - diameters and thicknesses of
# the atoms [pixels] and colors.
# Recognized are 19 names of colors: white, black, red, darkRed, green,
# darkGreen, blue, darkBlue, cyan, darkCyan, magenta, darkMagenta, yellow,
# darkYellow, gray, darkGray, lightGray.
# You can enter at least one and maximum 10 input parameters - if you give
# less entries than is the number of atomic layers, the parameters will
# be repeated from the beginning.
Atom.Diameter, 12, 12, 12
Atom.Thickness, 1
Atom.FGColor, black
Atom.BGColor, yellow, red, darkblue, green, magenta, black
# Plot traces of planes - 0 says no, any other number gives the angular step
# in degrees
PlaneTraces, 0
# The arrows will be plotted between the nearest neighbors and also between
# the third nearest neighbors (ArrNeighbors,1,3)
# For bcc: ArrNeighbors, 1, 2 otherwise the arrows would be plotted only between
# yellow and red atoms
ArrNeighbors, 1, 2
# Cut-off radius for seeking neighboring atoms. This is needed to calculate the RDF
# which can then be used to identify the pairs of atoms between which arrows have
# to be plotted.
NeighRCut, 3.2