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berryphase_new : BUG - determinant of the overlap matrix is found to be 0

From: Scott Beckman <spbeckman@gmail.com>
To: forum@abinit.org
Subject: berryphase_new : BUG - determinant of the overlap matrix is found to be 0
Date: Fri, 12 Oct 2007 09:48:02 -0400
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Hello forum,

I've been running some small calculation using abinit v 5.3.5. I'm
running on a "generic" Intel workstation with Redhat GNU/Linux and
the gfortran compiler. My test system is PTO and I'm using PAW-USPP.

I've come across the following error message in the stdout:

berryphase_new : BUG -
For k-point # 85,
the determinant of the overlap matrix is found to be 0.
Action : contact ABINIT group.

.Delivered 8 WARNINGs and 2 COMMENTs to log file.

leave_new : decision taken to exit ...

I've found no record of this error message in the forum archive, so I
thought that I should ask about it here.

Is this bug fixed in the 5.4.3 release?

It is apparently related to the newer implementation of the Berry
phase calculation, so I'm going to try working with the original
implementation as shown in t81 and t82 of the test2 directory.

Any comments about this would be appreciated.

Thank you,
Scott

berryphase_new : BUG - determinant of the overlap matrix is found to be 0, Scott Beckman, 10/12/2007