From 04322eb308d21ea6d1630f0a46ba3da88ac2924d Mon Sep 17 00:00:00 2001 From: Krzysztof Dymkowski <kdymkowski84@gmail.com> Date: Thu, 26 Jan 2017 12:33:04 +0000 Subject: [PATCH] Lower threshold for Gamma K point. --- scripts/AbinsModules/AbinsConstants.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/scripts/AbinsModules/AbinsConstants.py b/scripts/AbinsModules/AbinsConstants.py index 7f53f782f3f..d95cb63a8f2 100644 --- a/scripts/AbinsModules/AbinsConstants.py +++ b/scripts/AbinsModules/AbinsConstants.py @@ -32,7 +32,7 @@ ALL_SYMBOLS = ["Ac", "Ag", "Al", "Am", "Ar", "As", "At", "Au", "B", "Ba", "Be", "Th", "Ti", "Tl", "Tm", "U", "Uuo", "Uup", "Uus", "Uut", "V", "W", "Xe", "Y", "Yb", "Zn", "Zr", ] -SMALL_K = 1.0e-7 # norm of k vector below this value is considered zero +SMALL_K = 1.0e-1 # norm of k vector below this value is considered zero K_2_HARTREE = constants.codata.value("kelvin-hartree relationship") # K * K_2_HARTREE = Hartree -- GitLab