[gpaw-users] Installation of LibXC 4.0.0 trunk + GPAW1.3.0 + ASE

[Caro Miguel]

Hi Vladislav,

I recently had the same problem, which should be solved in the development version. If you google it, you'll find a mention on Gitlab to this functional missing from the new LibXC. If you want to use the latest GPAW stable release you need to roll back your LibXC installation to a previous version.

Hope this helps,
Miguel

Sent from my Huawei Mobile

-------- Original Message --------
Subject: [gpaw-users] Installation of LibXC 4.0.0 trunk + GPAW1.3.0 + ASE
From: Vladislav Ivanistsev via gpaw-users
To: gpaw-users at listserv.fysik.dtu.dk
CC:

Hello,

I have encountered the same error while installing GPAW on different Ubuntu 16.04 machines.

My installation is described here: http://doublelayer.eu/tartu/2018/02/07/installation-of-libxc-4-0-0-trunk-gpaw1-3-0-ase/

Could you please comment what does this line do: "xc_mgga_x_tb09_set_params(self->functional[0], c);"?

Let me advise to add a comment about python version to your installation guideline. On the older machines Python 2.7 is still used as default, so "python3 setup.py install --user" leads to an unusable GPAW.

With best regards,
Vladislav

--
PhD Vladislav Ivaništšev
Institute of Chemistry, University of Tartu
Ravila 14a, 50411, Tartu, Estonia
ut.ee/~vi<http://ut.ee/~vi>
+372 55 685357
linkedin.com/pub/vladislav-ivanistsev/40/479/1a7<http://linkedin.com/pub/vladislav-ivanistsev/40/479/1a7>
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