GW calculations one k point at a time?

Questions of type "How do I calculate xxx ?"
(Open discussion, limited support from the helpdesk.)

Moderators: Global Moderator, Moderator

GW calculations one k point at a time?

Postby wxiaom86 » Fri Jul 13, 2018 1:53 am


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.

Posts: 10
Joined: Sun Jan 29, 2017 4:10 am

Return to Physics questions

Who is online

Users browsing this forum: Google [Bot] and 1 guest