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Bug fixed in OpenMX3.1, No.2
Date: 2006/11/17 00:47
Name: T.Ozaki

Dear All,

A bug was fixed in a routine 'Total_Energy.c' of OpenMX Ver. 3.1.

In the non-collinear calculation, there is a bug in evaluation of
the contribution of the non-local potentials to the total energy
(Thanks Dr. Hosik Lee at SNU for reporting the bug).

Please replace this routine by
http://staff.aist.go.jp/t-ozaki/bugfixed/06Nov17/Total_Energy.c

Thank you for your cooperation in advance.

Best regards,

Taisuke Ozaki
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