Hi Julie,
The scissor operator moves all the eigenvalues above the fermi energy
(chemical potential) up by the value you specify, this is to compensate for
the underestimation of the band gap. Usually you just choose it so that
you're band gap matches experiment.
The Broadening parameter
8, 2008 4:07:18 AM
Subject: Re: [SIESTA-L] correct optical calculation
Hi Julie,
The scissor operator moves all the eigenvalues above the fermi energy (chemical
potential) up by the value you specify, this is to compensate for the
underestimation of the band gap. Usually you just choose it so
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