My Community

Hello,

I am wondering if it is possible to separate the GW calculations to several parts with each handling one k point. After done the calculations k point by k point, the GW band energies can be collected on the full mesh. This could help once the job time is quite limited especially on typical supercomputers.

Best,
Xiaoming

Unfortunately, this is not possible.
Every GW calculation in VASP requires a k-point grid which, in addition to sampling points for the 1.BZ, includes also all possible q-vectors,
that is all possible difference vectors. This is the reason why one needs a Gamma-centered k-point grid for GW runs.

If you are interested in plotting the GW bandstructure we suggest using wannier interpolation as described in following tutorial:
http://cms.mpi.univie.ac.at/wiki/index. ... rVO3_in_GW