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patch #3 and #4 of OpenMX Ver. 3.2 Date: 2007/07/02 17:31 Name: T.Ozaki Dear All, In the non-collinear calculation, the evaluation of the Voronoi charge was improper, and the calculation became unstable as the spin angle approaches to 90 deg of 'theta' (the first angle). The relevant bugs were fixed in several routines. Please replace the routines by http://www.openmx-square.org/bugfixed/07June28/patch3.2.3.tar.gz The patch contains all the corrected subroutines in patch3.2.1 and patch3.2.2. Thank you for your cooperation in advance. Best regards, TO !! further news !! Dear All, After releasing patch3.2.3.tar.gz, it is found that a file 'DFT.c' in the patch #3 of OpenMX Ver. 3.2 seems to be broken during the file transfer. Thus, I have released a patch #4 of OpenMX Ver. 3.2 as the corrected one of #3. Please replace the routines by http://www.openmx-square.org/bugfixed/07July02/patch3.2.4.tar.gz The patch contains all the corrected subroutines in patch3.2.1 and patch3.2.2. Sorry for the frequent releases, and thank you for your cooperation in advance. Best regards, TO

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