LSPECTRAL = .FALSE. or .TRUE.default: LSPECTRAL=.TRUE. if NOMEGA
If LSPECTRAL=.TRUE. is set, the imaginary part of the
independent particle polarizability
is calculated first, and afterwards the full independent particle polarizability
is determined using a Kramers-Kronig (or Hilbert) transform. This reduces
the computational work load by almost a factor
.
The downside of the coin is that the response function must be kept in memory
for all considered frequencies, which can cause excessive memory requirements.
VASP therefore distributes the dielectric functions among the available
compute nodes.
A similar trick is used when the QP-shifts are calculated. In general it is strongly recommended to set LSPECTRAL=.TRUE., except if memory requirements are too excessive.