[QE-users] Quantum Espresso with LibXC

[Johnson, Miles R.]

Hi Takahiro,

I'm using libxc version 5.2.3, downloaded from this website: https://tddft.org/programs/libxc/download/.

I've attached a picture of the file list.

Thanks!
Miles

---Sender---
Miles Johnson
Applied Physics PhD candidate, California Institute of Technology
mjohnso7 at caltech.edu
Libxc - a library of exchange-correlation functionals for density-functional theory - TDDFT<https://tddft.org/programs/libxc/download/>
Download Latest release. The sources for the latest stable release can be downloaded here: libxc-5.2.3.tar.gz. Development version. You can also get Libxc directly ...
tddft.org




[cid:aab23565-5798-4da1-b4d5-d27cb617d95d]
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Takahiro Chiba <takahiro_chiba at eis.hokudai.ac.jp>
Sent: Saturday, September 3, 2022 4:46 AM
To: Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
Subject: Re: [QE-users] Quantum Espresso with LibXC

Hi Miles,

Could you...
1. tell us which version of libxc did you use?
2. show us the list of files in /home/milesj/LIBXC? ( find /home/milesj/LIBXC -type f )


P.S.
You should write your affiliation when you post here!

Sincerely,
Takahiro

---Sender---
Takahiro Chiba
CSE, Hokkaido University
takahiro_chiba at eis.hokudai.ac.jp<mailto:takahiro_chiba at eis.hokudai.ac.jp>
-----


On Sat, Sep 3, 2022 at 4:44 AM Johnson, Miles R. <mjohnso7 at caltech.edu<mailto:mjohnso7 at caltech.edu>> wrote:
I posted this question on stackoverflow before finding this mailing list:
https://stackoverflow.com/questions/73576250/error-in-quantum-espresso-configuration-with-libxc

Essentially, I've downloaded and seemingly without error installed libxc, and I have the most recent distribution of quantum espresso. Without the --with-libxc flag it configures just find, but with the flag it cannot seem to find my libxc installation no matter where I put it. I've tried haphazardly looking through many forums and trying various solutions, and nothing has changed anything. No matter what I do, either it doesn't find libxc or doesn't look for it. When I try adding flags to the make.inc file after normal configuration like the documentation says as an alternative, make all fails with the error pictured below. I've made zero progress for more than a week and I really need help.

Thanks,
Miles

[cid:183032168d5cb971f161]
[X]<https://stackoverflow.com/questions/73576250/error-in-quantum-espresso-configuration-with-libxc>
Error in Quantum Espresso configuration with libxc<https://stackoverflow.com/questions/73576250/error-in-quantum-espresso-configuration-with-libxc>
Teams. Q&A for work. Connect and share knowledge within a single location that is structured and easy to search. Learn more about Teams
stackoverflow.com<http://stackoverflow.com>

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