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|
avec
20.5199999999999996 0.0000000000000000 0.0000000000000000
0.0000000000000000 20.5199999999999996 0.0000000000000000
0.0000000000000000 0.0000000000000000 20.5199999999999996
atoms
1
'Si.in'
64
0.4384746588693957 0.4375000000000000 0.4375000000000000
0.9375000000000001 0.4375000000000000 0.4375000000000000
0.4375000000000000 0.9375000000000001 0.4375000000000000
0.9375000000000001 0.9375000000000001 0.4375000000000000
0.4375000000000000 0.4375000000000000 0.9375000000000001
0.9375000000000001 0.4375000000000000 0.9375000000000001
0.4375000000000000 0.9375000000000001 0.9375000000000001
0.9375000000000001 0.9375000000000001 0.9375000000000001
0.4375000000000000 0.1875000000000000 0.1875000000000000
0.9375000000000001 0.1875000000000000 0.1875000000000000
0.4375000000000000 0.6875000000000001 0.1875000000000000
0.9375000000000001 0.6875000000000001 0.1875000000000000
0.4375000000000000 0.1875000000000000 0.6875000000000001
0.9375000000000001 0.1875000000000000 0.6875000000000001
0.4375000000000000 0.6875000000000001 0.6875000000000001
0.9375000000000001 0.6875000000000001 0.6875000000000001
0.1875000000000000 0.4375000000000000 0.1875000000000000
0.6875000000000001 0.4375000000000000 0.1875000000000000
0.1875000000000000 0.9375000000000001 0.1875000000000000
0.6875000000000001 0.9375000000000001 0.1875000000000000
0.1875000000000000 0.4375000000000000 0.6875000000000001
0.6875000000000001 0.4375000000000000 0.6875000000000001
0.1875000000000000 0.9375000000000001 0.6875000000000001
0.6875000000000001 0.9375000000000001 0.6875000000000001
0.1875000000000000 0.1875000000000000 0.4375000000000000
0.6875000000000001 0.1875000000000000 0.4375000000000000
0.1875000000000000 0.6875000000000001 0.4375000000000000
0.6875000000000001 0.6875000000000001 0.4375000000000000
0.1875000000000000 0.1875000000000000 0.9375000000000001
0.6875000000000001 0.1875000000000000 0.9375000000000001
0.1875000000000000 0.6875000000000001 0.9375000000000001
0.6875000000000001 0.6875000000000001 0.9375000000000001
0.0625000000000000 0.0625000000000000 0.0625000000000000
0.5625000000000001 0.0625000000000000 0.0625000000000000
0.0625000000000000 0.5625000000000001 0.0625000000000000
0.5625000000000001 0.5625000000000001 0.0625000000000000
0.0625000000000000 0.0625000000000000 0.5625000000000001
0.5625000000000001 0.0625000000000000 0.5625000000000001
0.0625000000000000 0.5625000000000001 0.5625000000000001
0.5625000000000001 0.5625000000000001 0.5625000000000001
0.0625000000000000 0.3125000000000000 0.3125000000000000
0.5625000000000001 0.3125000000000000 0.3125000000000000
0.0625000000000000 0.8125000000000000 0.3125000000000000
0.5625000000000001 0.8125000000000000 0.3125000000000000
0.0625000000000000 0.3125000000000000 0.8125000000000000
0.5625000000000001 0.3125000000000000 0.8125000000000000
0.0625000000000000 0.8125000000000000 0.8125000000000000
0.5625000000000001 0.8125000000000000 0.8125000000000000
0.3125000000000000 0.0625000000000000 0.3125000000000000
0.8125000000000000 0.0625000000000000 0.3125000000000000
0.3125000000000000 0.5625000000000001 0.3125000000000000
0.8125000000000000 0.5625000000000001 0.3125000000000000
0.3125000000000000 0.0625000000000000 0.8125000000000000
0.8125000000000000 0.0625000000000000 0.8125000000000000
0.3125000000000000 0.5625000000000001 0.8125000000000000
0.8125000000000000 0.5625000000000001 0.8125000000000000
0.3125000000000000 0.3125000000000000 0.0625000000000000
0.8125000000000000 0.3125000000000000 0.0625000000000000
0.3125000000000000 0.8125000000000000 0.0625000000000000
0.8125000000000000 0.8125000000000000 0.0625000000000000
0.3125000000000000 0.3125000000000000 0.5625000000000001
0.8125000000000000 0.3125000000000000 0.5625000000000001
0.3125000000000000 0.8125000000000000 0.5625000000000001
0.8125000000000000 0.8125000000000000 0.5625000000000001
tasks
0
mixtype
3
sppath
'../../../species/'
ngridk
1 1 1
vkloff
0.5 0.5 0.5
tforce
.true.
|
