From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Thu, 29 Oct 2009 07:19:15 +0000 (+0100)
Subject: sec checkin since accidentally deleted (and recovered!) fir the second time now
X-Git-Url: https://hackdaworld.org/gitweb/?a=commitdiff_plain;h=6c7a8d2d85ad35d61f025daa2dc18eab520b4281;p=physik%2Fposic.git

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

diff --git a/vasp_tools/stdvis b/vasp_tools/stdvis
index 0f30678..4592d5a 100755
--- 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