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! Hartree-Fock calculation of silicon. Note that this is still an experimental
! feature in Elk. It is also quite slow and is best run using OpenMP on a
! multi-processor machine.
! Important: the exact exchange energy is only calculated on the last iteration.
! All previously calculated exchange energies are approximate.
tasks
0
5
! Hartree-Fock is treated as a second-variational correction to the Kohn-Sham
! problem. Thus a large number of empty states are required for convergence.
nempty
8
avec
5.13 5.13 0.00
5.13 0.00 5.13
0.00 5.13 5.13
sppath
'../../../species/'
atoms
1 : nspecies
'Si.in' : spfname
2 : natoms; atposl below
0.0 0.0 0.0
0.25 0.25 0.25
ngridk
2 2 2
vkloff
0.25 0.25 0.25
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