abinit

History

trunk d1c4956f70 Update copyright from 2024 to 2025		2025-02-17 11:50:32 +01:00
..
Input	Squashed commit of the following:	2020-12-09 18:50:27 +01:00
Refs	Update copyright from 2024 to 2025	2025-02-17 11:50:32 +01:00
README	init abinit 8.1.2	2016-07-02 07:56:36 +02:00
__init__.py	Rename Psps_for_tests to Pspdir in all .py and .cmake files.	2024-11-20 18:10:32 +01:00

README

Tis directory, vdwxc, contains tests which exercise parts
of the ABINIT package, related to the use of van der Waals
exchange-correlation.

Please, see the README file in the tests directory (above this one) to get help.


---------------------------------------------------------------
Tests 1 to 3 examine different exchange-correlation functionals related
to the vdW-DF approximations.

Test 10 examine the DFT-D2 method of Grimme. 
---------------------------------------------------------------