From 08679918733d701723b0c7bd1ff7a17fb174086a Mon Sep 17 00:00:00 2001 From: Han Wang Date: Thu, 19 Sep 2024 20:18:35 +0800 Subject: [PATCH] improve ut coverage --- tests/qe.scf/na.in | 1 + 1 file changed, 1 insertion(+) diff --git a/tests/qe.scf/na.in b/tests/qe.scf/na.in index 1a43e794..ceb2a484 100644 --- a/tests/qe.scf/na.in +++ b/tests/qe.scf/na.in @@ -39,6 +39,7 @@ CELL_PARAMETERS {angstrom} -4.270578118300000 5.761527588200000 0.000000000000000 -0.000000045600000 0.000000023000000 12.826457854999999 ATOMIC_POSITIONS (crystal) + Na 0.940587444301534 0.397635863676890 0.059472381901808 Na 0.059413515648061 0.602364552456546 0.559472465518034 Na 0.602364619812068 0.059413062489401 0.059472381901808