You need to compile QE for libxc in order to use it. Please read here:
https://www.quantum-espresso.org/Doc/user_guide/node13.html
Paolo
On 15/05/2024 09:00, zhouchao via users wrote:
Dear Quantum ESPRESSO Community, I am currently working with Quantum
ESPRESSO version 7.0 and Libxc version 6.0.0. The functional I am using
is specified as Input_dft='XC-000I-000I-000L-130L-707L-000I'. For the
Meta-GGA exchange, I have selected the TASK exchange functional with
id=707. However, I encountered the following error: Error in routine
matching_shortIDs (1): libxc needed for this functional, but it is not
linked
I am unsure of the cause of this error. Could you provide guidance on
what might be causing this issue? Additionally, since the TASK
functional only provides an exchange functional, I am uncertain about
which correlation functional to select. Could you explain the logic
behind choosing an appropriate correlation functional in this context?
Thank you for your assistance. Best regards, zhouchao
_______________________________________________
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 [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
--
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 [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
