My Community

Hi,

during the calculation of a Barry's phase with IGPAR=3 received a couple of time the following WARNING:
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Im ln[Det|M_k|/<Det|M_k|>_av]= 2.52818 <= WARNING: larger than pi/2, not well clustered.
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I'm doing this on a slab with a polarization along [001] and the usual dipole correction.

The same calculation with IGPAR=1 gives another error:
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Error in subroutine BERRY: did not find all determinants

Matrix CMK is not an nxn matrix for
ISTR = 1 j = 0
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how can solve it?
thanks
alistar

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