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! B12 ground state (Andrew Chizmeshya)
tasks
0
10
rgkmax
6.0
scale
9.6376071
avec
0.55522 0.00000 0.82027
-0.27761 0.48083 0.82027
-0.27761 -0.48083 0.82027
sppath
'../../../species/'
atoms
1 : nspecies
'B.in' : spfname
12 : natoms; atposl below
0.77917 0.77917 0.36899
0.36899 0.77917 0.77914
0.77917 0.36899 0.77918
0.22082 0.22082 0.63108
0.22082 0.63100 0.22082
0.63100 0.22082 0.22086
0.98989 0.98989 0.34576
0.34579 0.98989 0.98986
0.98989 0.34579 0.98981
0.01010 0.01010 0.65424
0.01010 0.65420 0.01019
0.65420 0.01010 0.01014
ngridk
2 2 2
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