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SSCHAcode / python-sscha

The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
GNU General Public License v3.0
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Error in the new cluster with tar compression #73

Closed mesonepigreco closed 2 years ago

mesonepigreco commented 2 years ago

It seems that all the frequencies tend to zero after the substitution of the new cluster with the TAR. To be check if there is a mistake in pull request #72 This is very important

mesonepigreco commented 2 years ago

This seems to be an error when reading the output, which the result passed from the thread is overwritten by other threads. The clearest indication is an error on the reported structure with the structure generated of 3 A, while by comparing the ensemble and the espresso output the structures correct. This is a clear indication that something has been overwritten in the output.

mesonepigreco commented 2 years ago

Fixed.