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General Questions and Answers / k-points Fermi level, band structure and transmission spectrum
« on: April 14, 2022, 20:32 »
Dear QuantumATK users,
1) How is the Fermi level computed in QuantumATK? How it depends on the k-points number? The variation of the Fermi level with respect to the k-points number indicates a change in the number of energy levels of the band structure? or it is possible the band structure converges with respect to the k-points number but the Fermi level still varies?
2) The Fermi level and the transmission spectrum (calculated from bulk) should converge, with respect to the k-points number, at the same k-points number?
1) How is the Fermi level computed in QuantumATK? How it depends on the k-points number? The variation of the Fermi level with respect to the k-points number indicates a change in the number of energy levels of the band structure? or it is possible the band structure converges with respect to the k-points number but the Fermi level still varies?
2) The Fermi level and the transmission spectrum (calculated from bulk) should converge, with respect to the k-points number, at the same k-points number?