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[abinit-forum] GW calc error msg G-shell not closed

From: Martin Häufel <martin.haeufel@googlemail.com>
To: forum@abinit.org
Subject: [abinit-forum] GW calc error msg G-shell not closed
Date: Wed, 27 Jan 2010 00:47:50 +0100
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Dear colleagues,

when performing GW calculations with different ecut values, I get the
following error message for exactely one ecut value (in the middle of the range):

"m_gsphere.F90:160:ERROR
G-shell not closed
Initial G vector 5400/ 5407 -2 -9 -4
Rotated G vector -9 -2 -4
Through sym 9 and itim 1"

Bug or feature? Do I have to change some other parameter value(s)?

Thanks!
Best regards,

Martin Haeufel

TU Munich, WSI (T33)
www.wsi.tum.de

[abinit-forum] GW calc error msg G-shell not closed, Martin Häufel, 01/27/2010