Dear Elham,
your Ef is such that there are -2 electrons in the solid. Probably
Ef is inside a band gap, or in the wrong range. Obviously if the DOS
is vanishing, all quantities are vanishing or ill-defined (zero
divided by zero).
Best,
D.
On 5/8/24 18:36, Elham Rezaee wrote:
Dear Quantum ESPRESSO Users,
I am currently performing calculations using BoltzTrap and have encountered an
issue that I hope you might help me resolve. I ran BoltzTrap using an
unsymmetric CIF file, but my resulting prefix.trace file is empty, displaying
values like the attachment. Does anyone have any ideas why this might be
happening or suggestions on how to fix it?
Thank you,
Best regards,
Elham Rezaee,
UNB, Canada, PhD
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