diff --git a/src/crystal.f90 b/src/crystal.f90 index 6690955bf..5aecb45e5 100644 --- a/src/crystal.f90 +++ b/src/crystal.f90 @@ -434,14 +434,6 @@ function crystal_characteristicShear_Twin(Ntwin,lattice,CoverA) result(character f, & !< index of my family s, e - integer, dimension(size(HP_NTWINSYSTEM)), parameter :: & - HP_SHEARTWIN = [& - 1, & ! <-10.1>{10.2} - 2, & ! <11.6>{-1-1.1} - 3, & ! <10.-2>{10.1} - 4 & ! <11.-3>{11.2} - ] !< indicator to formulas below - select case(lattice) case('cF','cI') @@ -453,14 +445,14 @@ function crystal_characteristicShear_Twin(Ntwin,lattice,CoverA) result(character myFamilies: do f = 1,size(Ntwin,1) s = sum(Ntwin(:f-1)) + 1 e = sum(Ntwin(:f)) - select case(HP_SHEARTWIN(f)) ! from Christian & Mahajan 1995 p.29 - case (1) ! <-10.1>{10.2} + select case(f) ! from Christian & Mahajan 1995 p.29 + case (1) ! <-10.1>{10.2} characteristicShear(s:e) = (3.0_pREAL-cOverA**2)/sqrt(3.0_pREAL)/CoverA - case (2) ! <11.6>{-1-1.1} + case (2) ! <11.6>{-1-1.1} characteristicShear(s:e) = 1.0_pREAL/cOverA - case (3) ! <10.-2>{10.1} + case (3) ! <10.-2>{10.1} characteristicShear(s:e) = (4.0_pREAL*cOverA**2-9.0_pREAL)/sqrt(48.0_pREAL)/cOverA - case (4) ! <11.-3>{11.2} + case (4) ! <11.-3>{11.2} characteristicShear(s:e) = 2.0_pREAL*(cOverA**2-2.0_pREAL)/3.0_pREAL/cOverA end select end do myFamilies