[QE-users] [SPAM] Inquiry Regarding the libxc

[zhouchao]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20240515/6be37c79/attachment.html>