[QE-users] Why my material do not get optimized with vc-relax using HSE?

NAIMI SALMA salma_naimi at um5.ac.ma
Mon Jul 3 13:17:24 CEST 2023


I tried so many times to do a vc-relax calculation to my material with Quantum ESPRESSO . But the material is not converging when using hybrid functional like HSE, I do not get the block :

``` Begin final coordinates
     End final coordinates```

How can I solve this problem please?

PS: I attached the input file. I can't attach the output because it's too big so I attached also a file that contains the development of unit-cell volume, extracted from the output file.


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