safety checkin before mensa

[physik/posic.git] / config.default

diff --git a/config.default b/config.default
index e9181be..d63e401 100644 (file)
--- a/config.default
+++ b/config.default
@@ -4,8 +4,9 @@
 
 ## potential ##
 
-potential albe
+potential albe 14 6
 cutoff 2.96
+nnd 2.351
 
 ## integration algorithm ##
 
@@ -14,20 +15,20 @@ timestep 1.0
 
 ## simulation volume ##
 
-volume 
+volume 48.861 48.861 48.861
 pbc 1 1 1
 
 ## temperature / pressure ##
 
-temperature 450.0
+temperature -273.0
 pressure 0.0
 
 ## initial lattice ##
 
 lattice diamond
 #lattice zincblende
-element1 silicon
-#element2 carbon
+element1 14
+element2 6
 fill lc 9 9 9
 
 ## atom attributes ##