Rockaround/Crystalcell
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epstool is needed to reformat the pictures Capital and small letters are important List of geometries BCC X Y Z FCC X Y Z CUBIC X Y Z PLANX X Y x y z PLANY Y Y x y z PLANZ Z Y x y z NOEL X Y Z List of operations -a x y z remove an atom -al x y z remove an atom and its links +as x y z add a small atom, default black +an x y z add a normal atom +ab x y z add a big atom, default grey +av x y z add a vacancy -l x1 y1 z1 x2 y2 z2 remove a link +lt x1 y1 z1 x2 y2 z2 add a thin link +ln x1 y1 z1 x2 y2 z2 add a normal link +lb x1 y1 z1 x2 y2 z2 add a bold link cola x y z color change the color of an atom coll x1 y1 z1 x2 y2 z2 color change the color of a link w/wd/wr/wu/wl/wdr/wdl/wur/wul x y z size text write a text in/up/down/left/right/... of the specified position List of colors black grey white red blue yellow orange green Exemple of an input file BCC 2 1 1 +ab 0.5 0 0 +as 0 0.5 0 +as 0 0.5 0.5 +as 0 0.5 1 +as 0.5 0 1 +as 0.5 0.5 0 +as 0.5 1 0 +as 0.5 1.5 0 +as 0.5 1 0.5 +as 0.5 1 1 +as 1 1.5 0 +as 1 1.5 0.5 +as 1 1 0.5 +as 1.5 0 0 +as 1.5 0.5 0 +as 1.5 1 0 +as 1.5 1 0.5 +as 1.5 1 1 +as 2 0.5 0 +as 2 0.5 0.5 wdl 0 0.5 0 0.03 2 wu 0 0.48 0.5 0.03 3 wr -0.05 0.5 1 0.03 6 wul 0.5 0 1 0.03 4b wl 0.52 0.5 0 0.03 1 wdr 0.5 1 0 0.03 4b wl 0.52 1.5 0 0.03 8b wdr 0.47 1 0.5 0.03 5b wu 0.47 0.97 1 0.03 7b wl 1.02 1.5 0 0.03 9b wr 0.97 1.5 0.5 0.03 10b wl 1.03 1 0.5 0.03 6 wd 1.5 0 0 0.03 4a wd 1.5 0.5 0 0.03 5a wd 1.5 1 0 0.03 7a wdr 1.47 1 0.5 0.03 8a wu 1.48 1 1 0.03 11 wdl 2 0.5 0 0.03 9a wu 2 0.5 0.5 0.03 10a +lt 0 0.5 0 2 0.5 0 +lt 0.5 0 0 0.5 1.5 0 +lt 1 1 0 1 1.5 0 +lt 1 1 0.5 1 1.5 0.5