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

[Paolo Giannozzi]

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
> 
> 
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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