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It seems something very pathological is occurring here. The code tells you that
It should improve the stability of the minimization and prevent the occurrence of imaginary frequencies. |
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Dear SSCHA developers and users,
Sometimes, during the SSCHA minimization at the one of the SSCHA relaxation steps (i.e. with ensemble produced not from initial dynamical matrix) I face with this error:
Does anyone knows, how to reduce the probability to face with this error?
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