diff --git a/inpgen/atom_sym.f b/inpgen/atom_sym.f index d88efdd91fe79c0ad0ccb54489676b0bc98cff72..5ae12ff93916f28d9185746ea839a73da0f6649a 100644 --- a/inpgen/atom_sym.f +++ b/inpgen/atom_sym.f @@ -91,8 +91,8 @@ REAL, PARAMETER :: eps = 1.0e-7, isqrt3 = 1.0/sqrt(3.0), & thrd = 1.0/3.0, mtthrd = -2.0/3.0 - REAL :: lmat(3,3,8) - DATA lmat / 1.0, 0.0, 0.0, ! 1: primitive : P + REAL,PARAMETER :: lmat(3,3,8)=reshape((/ + & 1.0, 0.0, 0.0, ! 1: primitive : P & 0.0, 1.0, 0.0, & 0.0, 0.0, 1.0, + -1.0, 1.0, 1.0, ! 2: Inverse (F) @@ -115,7 +115,7 @@ & -1.0, 0.0, 1.0, + 1.0, 0.0, 0.0, ! 8: Inverse (A) & 0.0, 1.0, -1.0, - & 0.0, 1.0, 1.0/ + & 0.0, 1.0, 1.0/),(/3,3,8/)) istep0 = 0 !