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While doing the relaxation (cell + positions) on the SCPH level, I got the following error:
first-order derivatives of first-order IFCs (finite difference method) ...
ERROR in calculate_delv1_delumn_finite_difference MESSAGE: Sum of weights must be 1.
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Dear Dr. Tadano,
While doing the relaxation (cell + positions) on the SCPH level, I got the following error:
ERROR in calculate_delv1_delumn_finite_difference MESSAGE: Sum of weights must be 1.
What could be the cause of it?
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