Presently only selfconsistent GW calculations within a QP picture are supported, in the sense that the eigenvalues (and possibly eigenfunctions) are updated, but satellite peaks (shake ups and shake downs) can not be accounted for in the selfconsistency cycle. Selfconsistent GW calculations can be either performed by simply repeatedly calling VASP using:
System = Si NBANDS = 96 ISMEAR = 0 ; SIGMA = 0.05 ALGO = GW # or ALGO = scGW LWAVE = .TRUE.Results are identical for ALGO = GW0 and ALGO = GW. For scGW0 or scGW non diagonal terms in the Hamiltonian are also accounted for, and the linearized QP equation is diagonalized. Alternatively specify an electronic iteration counter using NELM:
System = Si
NBANDS = 96
ISMEAR = 0 ; SIGMA = 0.05
ALGO = GW # or ALGO = scGW
NELM = 4
LWAVE = .TRUE. ! depends on whether you want to have final updated
! eigenvalues on WAVECAR
In this case the QP energies are updated 4 times (starting from the
DFT eigenvalues) in both G and W.