Error in GW: Self-consistent quasi-particle solution not found

Jan-Niclas Luy luyjan... at gmail.com
Wed May 9 12:48:57 UTC 2018


Hello,

doing a GW calculation I encounter the error *"Self-consistent 
quasi-particle solution not found"*

The innitial SCF calculation takes very long to converge (more than 300 
cycles).

I don't know if this is part of the problem or if it is memory related.

The system I am trying to calculate is a 1D polymer using an input similar 
to the example 
https://www.cp2k.org/exercises:2017_uzh_cp2k-tutorial:gw#periodic_gw_calculations

I am attaching the in- and out-files.


With hope that a more experienced person can point me in the right 
direction.
Jan-Niclas Luy
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