OpenAtom GW software released and preprint

September 3, 2018

The Yale-IBM-UIUC OpenAtom collaboration has released its for massively parallel GW implementation using the UIUC-developed charm++ parallel runtime system (middleware).  The software implemenst a GW calculation at present with the COHSEX approximation for the self-energy.  Scaling results show it is highly competitive with other open atom GW projects such as BerkeleyGW.  The preprint can be found on at arxiv:1810.07772  This is a collaborative work funded by NSF grants ACI-1339804.