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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 ##
-potential albe
+potential albe
14 6
cutoff 2.96
cutoff 2.96
+nnd 2.351
## integration algorithm ##
## integration algorithm ##
@@
-14,20
+15,20
@@
timestep 1.0
## simulation volume ##
## simulation volume ##
-volume
+volume
48.861 48.861 48.861
pbc 1 1 1
## temperature / pressure ##
pbc 1 1 1
## temperature / pressure ##
-temperature
450
.0
+temperature
-273
.0
pressure 0.0
## initial lattice ##
lattice diamond
#lattice zincblende
pressure 0.0
## initial lattice ##
lattice diamond
#lattice zincblende
-element1
silicon
-#element2 carbon
+element1
14
+element2 6
fill lc 9 9 9
## atom attributes ##
fill lc 9 9 9
## atom attributes ##