runjmol
readjmol n2
mixato
setup epsr n2mix1
fnameato n2mix1
n2mix1
ndata 1
search
e
setup nwts n2mix
nwts
setup epsr
ndata
y
randomise n2mix
randomise n2mix1
randomise n2mix2
fmole n2mix1 10000
fmole n2mix2 10000
changeato n2mix1
atom 1
epsr n2mix1
plot
pt 7
f n2mix
p
ed run.txt
ss run.txt
ps
q
ereqstep 1
ireset 2
ss
rho
0.01741
fnamepcof
arn2mix
0.0
0
randomise arn22575mix1
randomise arn22575mix2
fnameato
arn22575mix1
data 1
u
Ar-N1 0 3.35 0.29 -1.13
n
setup epsr arn22575mix1
setup nwts arn22575mix
1
0 3.5 0.29 -1.13
save
arn22575mix2
setup epsr n2mix2
ereqstep 0
ereq
changeato n2mix2
0.02128
changeato n2mix
changeato arn22575mix1
0.02057
randomise arn25050mix1
changeato arn25050mix1
0.02009
arn25050mix2
setup nwts
setup nwts arn25050mix
arn25050mix1
randomise arn27525mix1
changeato arn27525mix1
0.01836
arn27525mix2
setup nwts arn27525mix
arn27525mix1
setup epsr arn27526mix1
setup epsr arn27525mix1
ssss
ereqstep 0.05
iinit 1
setup epsr arn22575mix2
setup epsr arn25050mix1
setup epsr arn25050mix2
setup epsr arn27525mix2
temp
134.8
changeato arn22575mix2
141.2
changeato arn25050mix2
147.7
changeato arn27525mix2
temp 147.7
iinit
setup epsr arnw2575mix1
0.05 0.05
epsr arn22575mix1
epsr arn22575mix2
0.02
l
readjmol
readmole
setup nwts arpure
armix1
changeato armix1
154
changeato armix2
temp 154
fmole n2mix1 0
fmole n2mix2
fmole arn22575mix1 0
fmole arn22575mix2 0
fmole arn25050mix2 0
fmole arn25050mix1 0
fmole arn27525mix1 0
fmole arn27525mix2 0
plotato arn22575mix2 3 0 0
makelatticeato
makelatticeato armix2
makelatticeato nmix2
makelatticeato n2mix2
makelatticeato n2mix1
makelatticeato arn22575mix1
makelatticeato arn22575mix2
makelatticeato arn25050mix2
makelatticeato arn27525mix1
makelatticeato arn27525mix2
plotato n2mix1 3 0 0
n2mix2
0.01241
0.0061
.01463
0.01097
0.00593
0.01737
0.02114
0.01839
0.01551
0.01239
0.01235
128.4
setup epsr armix1
nsumt
pwd
rm
system rm dump.erg
dir
dir *.erg
ss run-not-n2.txt
es
