[Pw_forum] tetrahedra and vc-relax

[chiara.ricca at dcb.unibe.ch]

Dear all,

I'm trying to perform a "vc-relax" calculation using the tetrahedron method with QE v 6.1.

The calculation stops after having printed the final geometry, during the final scf step.

It does not write any error and the scheduler only reports a segmentation fault.

I have tried with both tetrahedra and tetrahedra_opt, but I have the same issue.

The problem is not there if I do a "relax" calculation.

Please find attached, the input and output of an example.

Thanks in advance!

Regards,

Chiara Ricca

---

Postdoctoral fellow

University of Bern

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