# Open SourceMolecular Dynamics

### Site Tools

exercises:2017_uzh_cp2k-tutorial:gw

# Differences

This shows you the differences between two versions of the page.

 exercises:2017_uzh_cp2k-tutorial:gw [2017/07/09 19:31]jwilhelm [5. Cubic-scaling GW calculations] exercises:2017_uzh_cp2k-tutorial:gw [2017/07/09 19:36]jwilhelm [5. Cubic-scaling GW calculations] Both sides previous revision Previous revision 2017/07/13 12:23 jwilhelm 2017/07/09 19:36 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/09 19:31 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/07 15:07 jwilhelm [4. Periodic GW calculations] 2017/07/04 08:00 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/04 07:58 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/04 07:57 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/04 07:54 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/04 07:53 jwilhelm [4. Periodic GW calculations] 2017/07/04 07:53 jwilhelm [1. Reproducing values from the GW100 set] 2017/07/04 07:51 jwilhelm [1. Reproducing values from the GW100 set] 2017/07/04 07:47 jwilhelm [GW method for computing electronic levels] 2017/07/04 07:45 jwilhelm 2017/07/03 15:05 jwilhelm 2017/07/03 14:50 jwilhelm [2. Basis set extrapolation] 2017/07/03 14:50 jwilhelm [2. Basis set extrapolation] 2017/07/03 14:47 jwilhelm [2. Basis set extrapolation] 2017/07/03 14:45 jwilhelm 2017/07/03 14:38 jwilhelm [4. Periodic GW calculations] 2017/07/03 14:36 jwilhelm [1. Reproducing values from the GW100 set] 2017/07/03 14:36 jwilhelm [1. Reproducing values from the GW100 set] 2017/07/03 14:23 jwilhelm [GW method for computing electronic levels] 2017/07/03 07:31 jwilhelm [2. Basis set extrapolation] 2017/07/03 07:30 jwilhelm [2. Basis set extrapolation] 2017/07/02 09:27 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/02 09:26 jwilhelm [4. Periodic GW calculations] 2017/07/02 09:21 jwilhelm [3. Input for large-scale calculations] 2017/07/02 09:20 jwilhelm [2. Basis set extrapolation] 2017/07/13 12:23 jwilhelm 2017/07/09 19:36 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/09 19:31 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/07 15:07 jwilhelm [4. Periodic GW calculations] 2017/07/04 08:00 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/04 07:58 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/04 07:57 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/04 07:54 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/04 07:53 jwilhelm [4. Periodic GW calculations] 2017/07/04 07:53 jwilhelm [1. Reproducing values from the GW100 set] 2017/07/04 07:51 jwilhelm [1. Reproducing values from the GW100 set] 2017/07/04 07:47 jwilhelm [GW method for computing electronic levels] 2017/07/04 07:45 jwilhelm 2017/07/03 15:05 jwilhelm 2017/07/03 14:50 jwilhelm [2. Basis set extrapolation] 2017/07/03 14:50 jwilhelm [2. Basis set extrapolation] 2017/07/03 14:47 jwilhelm [2. Basis set extrapolation] 2017/07/03 14:45 jwilhelm 2017/07/03 14:38 jwilhelm [4. Periodic GW calculations] 2017/07/03 14:36 jwilhelm [1. Reproducing values from the GW100 set] 2017/07/03 14:36 jwilhelm [1. Reproducing values from the GW100 set] 2017/07/03 14:23 jwilhelm [GW method for computing electronic levels] 2017/07/03 07:31 jwilhelm [2. Basis set extrapolation] 2017/07/03 07:30 jwilhelm [2. Basis set extrapolation] 2017/07/02 09:27 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/02 09:26 jwilhelm [4. Periodic GW calculations] 2017/07/02 09:21 jwilhelm [3. Input for large-scale calculations] 2017/07/02 09:20 jwilhelm [2. Basis set extrapolation] 2017/07/02 09:18 jwilhelm [2. Basis set extrapolation] 2017/07/02 08:33 jwilhelm [2. Basis set extrapolation] 2017/07/02 08:29 jwilhelm [1. Reproducing values from the GW100 set] 2017/07/02 08:18 jwilhelm [1. Reproducing values from the GW100 set] 2017/07/02 08:16 jwilhelm 2017/07/02 08:04 jwilhelm 2017/07/01 16:45 jwilhelm 2017/07/01 13:05 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/01 13:04 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/01 13:01 jwilhelm [5. Cubic-scaling GW calculations] 2017/07/01 12:48 jwilhelm 2017/07/01 12:29 jwilhelm 2017/07/01 12:01 jwilhelm [2. Basis set extrapolation] 2017/07/01 10:21 jwilhelm 2017/07/01 10:10 jwilhelm [2. Basis set extrapolation] 2017/07/01 10:09 jwilhelm [2. Basis set extrapolation] 2017/07/01 10:09 jwilhelm [2. Basis set extrapolation] 2017/07/01 10:08 jwilhelm [2. Basis set extrapolation] 2017/07/01 10:05 jwilhelm [2. Basis set extrapolation] 2017/07/01 09:22 jwilhelm [GW method for computing electronic levels] 2017/07/01 09:17 jwilhelm [3. Input for large-scale calculations] 2017/07/01 09:16 jwilhelm [3. Input for large-scale calculations] 2017/07/01 09:15 jwilhelm [2. Basis set extrapolation] Last revision Both sides next revision Line 339: Line 339: ! to use OMP threads to prevent OOM ! to use OMP threads to prevent OOM GROUP_SIZE_P 1 GROUP_SIZE_P 1 + ! for larger systems, MEMORY_CUT must be increased + ! to prevent out of memory (OOM) + MEMORY_CUT ​ 1 GW GW &END IM_TIME &END IM_TIME