CP2K Open Source Molecular Dynamics

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exercises:2017_uzh_cp2k-tutorial:gw

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exercises:2017_uzh_cp2k-tutorial:gw [2017/07/07 15:07] – [4. Periodic GW calculations] jwilhelmexercises:2017_uzh_cp2k-tutorial:gw [2017/07/09 19:31] – [5. Cubic-scaling GW calculations] jwilhelm
Line 327: Line 327:
           IM_TIME           IM_TIME
           &IM_TIME           &IM_TIME
 +            ! EPS_FILTER_IM_TIME should be tuned for the specific 
 +            ! application: the computational cost strongly 
 +            ! depends on EPS_FILTER
             EPS_FILTER_IM_TIME 1.0E-12             EPS_FILTER_IM_TIME 1.0E-12
             ! for large systems, increase GROUP_SIZE_3C               ! for large systems, increase GROUP_SIZE_3C  
exercises/2017_uzh_cp2k-tutorial/gw.txt · Last modified: 2022/10/31 14:33 by oschuett