diff --git a/tests/performance/P110_C2H6O_lcao/STRU b/tests/performance/P110_C2H6O_lcao/STRU index 2bfec20d9af..940b312edc1 100644 --- a/tests/performance/P110_C2H6O_lcao/STRU +++ b/tests/performance/P110_C2H6O_lcao/STRU @@ -9,7 +9,7 @@ NUMERICAL_ORBITAL ../../PP_ORB/H_gga_8au_100Ry_2s1p.orb LATTICE_CONSTANT -1 +1.8897261254578281 LATTICE_VECTORS 28.00000 0.00000 0.00000