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by hou
Sat May 01, 2010 2:19 pm
Forum: GW
Topic: GW calculation for arbitrary K point
Replies: 6
Views: 4273

Re: GW calculation for arbitrary K point

Dear all, Can do it in the following way?: 1) First perform a self consistent LDA/GGA calculation using a conventional file with a regular k-grid. 2) Copy the values for keywords related to the generated k-point such as nkpt, kpt, and wtk, and explicitly add all desired k-points along high-symmetry ...