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System  = Si groundstate occupied orbitals
ISMEAR = 0 ; SIGMA = 0.05  ! small sigma is required to avoid partial occupancies
EDIFF = 1E-8               ! required tight tolerance for groundstate orbitals
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System  = Si unoccupied orbitals
ALGO = Exact               ! use exact diagonalization of the Hamiltonian
NELM = 1                   ! since we are already converged stop after one step
NBANDS = 96               
ISMEAR = 0 ; SIGMA = 0.05  ! small sigma is required to avoid partial occupancies
LOPTICS = .TRUE.
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System  = Si
NBANDS = 96
ISMEAR = 0 ; SIGMA = 0.05
LOPTICS = .TRUE.
ALGO = GW0 ; NOMEGA = 50
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ľ³æ (ÕýʽдÊÖ)

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mazuju028

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