[CP2K-user] How does CP2K perform BZ integration
trann... at gmail.com
Mon Jul 22 04:09:03 CET 2019
Dear CP2K's experts
I recently moved to CP2K from Quantum Espresso.
Most of the exercies and publication I found on the CP2K website does not
use k-point sample for their calculations.
Is it correct that the BZ integration is perfromed only at Gama point
So in order to increase the accuracy of small unit cell I need
to MULTIPLE_UNIT_CELLS (That leeds to smaller BZ volume and higher mesh
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