abinit

History

trunk d1c4956f70 Update copyright from 2024 to 2025		2025-02-17 11:50:32 +01:00
..
Input	Modifications in order to pass on alps_intel_2025_elpa. Tuning of tolerances, but also this worker is excluded for 19 tests related to cprj, and 1 test related to GWR (paral_78)	2025-02-16 18:41:25 +01:00
Refs	Update copyright from 2024 to 2025	2025-02-17 11:50:32 +01:00
README	Initialize tests/v10	2024-03-22 05:55:22 +01:00
__init__.py	Rename Psps_for_tests to Pspdir in all .py and .cmake files.	2024-11-20 18:10:32 +01:00

README

This directory, v9, contains tests which
are related to various developments in
version 9.x.x of Abinit

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


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* Tests 1-30 concern ground state 

* Tests 31-40 concern GW/BSE

* Tests 41-49 concern response functions except electron-phonon 

* Tests 50-70 concern electron-phonon

* Tests 71-80 concern ground state

* Tests 81-89 concern multibinit

* Tests 90-99 concern ground state

* Tests 105-109 concern paw+u (specifically lruj)

* Tests 110-119 concern lattice Wannier function

* Tests 120-129 concern PAW hybrid functionals

* Tests 130-139 concern ground state

* Tests 140-149 concern response functions except electron-phonon 

* Test  150 concerning write_files supravariable

* Test  180-199 concern ground state geometry recognition

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