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! Ground state of aluminium. Try calculating the density of states by using
! tasks=10
tasks
0
! You can add notes to the INFO.OUT file using the "notes" block
notes
Simple calculation of the ground state of aluminium. Must check convergence
with respect to k-point set later.
Run by H. Golightly
avec
1.0 1.0 0.0
1.0 0.0 1.0
0.0 1.0 1.0
scale
3.8267
! this is the relative path to the species files
sppath
'../../../species/'
atoms
1 : nspecies
'Al.in' : spfname
1 : natoms
0.0 0.0 0.0 0.0 0.0 0.0 : atposl, bfcmt
ngridk
4 4 4
vkloff
0.5 0.5 0.5
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