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- Sat May 01, 2010 2:19 pm
- Forum: GW
- Topic: GW calculation for arbitrary K point
- Replies: 6
- Views: 4780
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 ...