diff --git a/src/crystal.f90 b/src/crystal.f90 index 8e820b515..8f0b0bfb7 100644 --- a/src/crystal.f90 +++ b/src/crystal.f90 @@ -444,16 +444,16 @@ function crystal_characteristicShear_Twin(Ntwin,lattice,CoverA) result(character ] !< indicator to formulas below - a = 0 - myFamilies: do f = 1,size(Ntwin,1) - mySystems: do s = 1,Ntwin(f) - a = a + 1 - select case(lattice) - case('cF','cI') - characteristicShear(a) = 0.5_pREAL*sqrt(2.0_pREAL) - case('hP') - if (cOverA < 1.0_pREAL .or. cOverA > 2.0_pREAL) & - call IO_error(131,ext_msg='crystal_characteristicShear_Twin') + select case(lattice) + case('cF','cI') + characteristicShear = 0.5_pREAL*sqrt(2.0_pREAL) + case('hP') + if (cOverA < 1.0_pREAL .or. cOverA > 2.0_pREAL) & + call IO_error(131,ext_msg='crystal_characteristicShear_Twin') + a = 0 + myFamilies: do f = 1,size(Ntwin,1) + mySystems: do s = 1,Ntwin(f) + a = a + 1 select case(HP_SHEARTWIN(f)) ! from Christian & Mahajan 1995 p.29 case (1) ! <-10.1>{10.2} characteristicShear(a) = (3.0_pREAL-cOverA**2)/sqrt(3.0_pREAL)/CoverA @@ -464,11 +464,11 @@ function crystal_characteristicShear_Twin(Ntwin,lattice,CoverA) result(character case (4) ! <11.-3>{11.2} characteristicShear(a) = 2.0_pREAL*(cOverA**2-2.0_pREAL)/3.0_pREAL/cOverA end select - case default - call IO_error(137,ext_msg='crystal_characteristicShear_Twin: '//trim(lattice)) - end select - end do mySystems - end do myFamilies + end do mySystems + end do myFamilies + case default + call IO_error(137,ext_msg='crystal_characteristicShear_Twin: '//trim(lattice)) + end select end function crystal_characteristicShear_Twin