I have seen in VASP manula that ISMEAR = -5 for semiconductor. Should we need to go on changing this value for relaxation, self consistent calculation and for calculation of DOS and Band structure. I found contradiction in using this value in different articles. If i suppose to calculate Band structure for a semiconductor, how can i use ISMEAR's value from relaxation up to the non-self consistency for Bandstructure.
ISMEAR = -5 is just one of the methods for determining the partial occupancies, and is the recommended choice for insulators and semiconductors. In general, you should use it always for these systems. However, if you use only 1 K-point in one of the directions, you can switch to ISMEAR=0 which represents the partial occupancies as a Gaussian. (see slide 10 here: http://cms.mpi.univie.ac.at/vasp-workshop/slides/k-points.pdf)
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