sec checkin since accidentally deleted (and recovered!) fir the second time now

diff --git a/vasp_tools/stdvis b/vasp_tools/stdvis
index 0f30678d3b7c3c4bcf2dfabf74ca4009f3299f5c..4592d5ad4f655935e3a66088b5674cecf7c5b818 100755 (executable)
--- a/vasp_tools/stdvis
+++ b/vasp_tools/stdvis
@@ -14,7 +14,7 @@ fi
 if [ -z "$3" ]; then
        trg="video"
 else
-       type="video.*"
+       trg="video.*"
 fi
 
 if [ "$type" != "disp" ]; then
@@ -44,9 +44,34 @@ echo "type: 1 no rotation, mirrored"
 ./visualize -w 640 -h 480 -d $i \
        -nll -0.20 -0.20 -0.20 -fur 1.20 1.20 1.20 \
        -b 0.0 0.0 0.0 1.0 1.0 1.0 \
-       -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
+       -c 0.3 -1.7 0.9 -L 0.5 -1.0 0.5 \
+       -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \
+       -A 1 216 2.6
+       #-A 1 217 2.6
+       #-c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
+fi
+
+# defect combination view 1
+if [ "$type" = "dc1" ]; then
+echo "type: defect combination 1, mirrored"
+./visualize -w 640 -h 480 -d $i \
+       -nll -0.20 -0.20 -0.80 -fur 1.20 1.20 1.20 \
+       -b 0.0 0.0 0.0 1.0 1.0 1.0 \
+       -c 0.3 -1.7 0.9 -L 0.5 -1.0 0.5 \
+       -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \
+       -A 2 217 218 2.6
+fi
+
+# first unit cell in each direction without rotation displaying mirrored atoms
+if [ "$type" = "x1y1z13" ]; then
+echo "type: x1y1z13, mirrored"
+./visualize -w 640 -h 480 -d $i \
+       -nll -0.20 -0.20 -1.20 -fur 1.20 1.20 1.20 \
+       -b 0.0 0.0 0.0 1.0 1.0 1.0 \
+       -c 0.3 -1.7 0.4 -L 0.5 -1.0 0 \
        -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \
        -A 1 217 2.6
+       #-A 2 109 217 2.6
 fi
 
 # first unit cell in each direction without rotation displaying mirrored atoms
@@ -60,6 +85,16 @@ echo "type: 1 no rotation, mirrored, displaying bonds of the 2 C atoms"
        -A 2 217 218 2.6
 fi
 
+if [ "$type" = "1m2dv" ]; then
+echo "type: 1 no rotation, mirrored, displaying bonds of db and vac"
+./visualize -w 640 -h 480 -d $i \
+       -nll -0.20 -0.20 -0.20 -fur 1.20 1.20 1.20 \
+       -b 0.0 0.0 0.0 1.0 1.0 1.0 \
+       -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
+       -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \
+       -A 2 215 216 2.6
+fi
+
 # three unit cells in each direction without rotation
 if [ "$type" = "3" ]; then
 echo "type: 3 no rotation"
@@ -67,7 +102,7 @@ echo "type: 3 no rotation"
        -nll -0.20 -0.20 -0.20 -fur 3.20 3.20 3.20 \
        -b 0.0 0.0 0.0 3.0 3.0 3.0 \
        -c 2.3 -3.7 2.4 -L 1.5 -1.0 1.5 \
-       -r 0.6
+       -r 0.6 -A 1 217 2.6
 fi
 
 # unti cell 3,0,2
@@ -111,6 +146,17 @@ echo "type: 3 roted, mirrored"
        -r 0.6 -m 2.0 -2.0 0.0 2.0 2.0 0.0 0.0 0.0 3.0
 fi
 
+# x: 2,3 y 3 z 1,2
+if [ "$type" = "x123y3z123" ]; then
+echo "type: x: 1,2,3 y 3 z 1,2,3"
+./visualize -w 640 -h 480 -d $i \
+       -nll -0.20 1.80 -0.20 -fur 3.20 3.20 3.20 \
+       -b 1.0 2.0 1.0 2.0 3.0 2.0 \
+       -c 1.8 -1.7 2.2 -L 1.6 2.5 1.7 \
+       -r 0.6 -A 1 217 2.6 \
+        -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0
+fi
+
 ./ppm2avi $i
 
 done