18 October 2023 0 3K Report

The tags are essential to look for the optical properties of the material. On Vaspwiki, it is mentioned that the tags can be taken by selecting the NBANDS value from the OUTCAR which is the default value for NBANDSO and NBANDSV, but I want to choose these tags properly. The NBANDSO is the integer value for the number of occupied orbitals in the system and NBANDSV is the integer value for the number of unoccupied orbitals in the system.

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