diff --git a/Manuscript/SRGGW.tex b/Manuscript/SRGGW.tex index 9e12004..8892076 100644 --- a/Manuscript/SRGGW.tex +++ b/Manuscript/SRGGW.tex @@ -636,6 +636,7 @@ The reference CCSD(T) principal ionization potentials (IPs) and electron affinit The two qs$GW$ variants considered in this work have been implemented in an in-house program, named \textsc{quack}. \cite{QuAcK} The $GW$ implementation closely follows the one of \textsc{molgw}. \cite{Bruneval_2016} In all $GW$ calculations, we use the aug-cc-pVTZ cartesian basis set and self-consistency is performed on all (occupied and virtual) orbitals, including core orbitals. +We use (restricted) HF guess orbitals and energies for all self-consistent $GW$ calculations. The maximum size of the DIIS space \cite{Pulay_1980,Pulay_1982} and the maximum number of iterations were set to 5 and 64, respectively. In practice, one may achieve convergence, in some cases, by adjusting these parameters or by using an alternative mixing scheme. However, in order to perform a black-box comparison, these parameters have been fixed to these default values.