Merge branch 'fix-qe-in' into fix-qe-scf-unit

wanghan-iapcm · Sep 19, 2024 · 4fa108f · 4fa108f
2 parents ed6d4a0 + 0867991
commit 4fa108f
Showing 1 changed file with 1 addition and 0 deletions.
diff --git 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