| 12:51:46 AM PDT - Wed, Sep 16th 2015 |
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Could you please describe this bug?
When I got the results of calculations, I found that formation energy of negatively charged defect is negative, that has no sense. For a short period of time I'm not able to perform new calculation (ran out of CPU time), so can't test same calculations with patch.
If patch won't affect total energies, how should I solve problem with defect negative formation energy?
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