You have forgotten to set the correct lattice parameter somewhere: your
structure is extremely dense
Paolo
On 15/05/2024 12:13, Максим Арсентьев wrote:
Dear users and developers,
After running carbon allotrope relaxation I got this error:
Error in routine memory_report (1): more bands than PWs!
Best regards,
Dr. Maxim Arsentev
Research Fellow of Infochemistry Scientific Center (ISC)
ITMO University
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
AVAILABLE POSITION:
https://physicslab.uniud.it/persone/paolo-giannozzi/prin2022
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
