81 lines
3.2 KiB
Fortran
81 lines
3.2 KiB
Fortran
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program corresponcence_matrix
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implicit none
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integer, dimension(4) :: &
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active = [6,0,6,0], &
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potential = [6,6,6,6]
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real, dimension(3) :: &
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direction, normal
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real, dimension(3,12) :: normal_vector
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real :: cOverA = 1.6235
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real, dimension(8,24) :: &
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system = reshape(real([&
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! <-10.1>{10.2} systems, shear = (3-(c/a)^2)/(sqrt(3) c/a)
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! tension in Co, Mg, Zr, Ti, and Be; compression in Cd and Zn
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-1, 0, 1, 1, 1, 0, -1, 2, & !
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0, -1, 1, 1, 0, 1, -1, 2, &
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1, -1, 0, 1, -1, 1, 0, 2, &
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1, 0, -1, 1, -1, 0, 1, 2, &
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0, 1, -1, 1, 0, -1, 1, 2, &
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-1, 1, 0, 1, 1, -1, 0, 2, &
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! <11.6>{-1-1.1} systems, shear = 1/(c/a)
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! tension in Co, Re, and Zr
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-1, -1, 2, 6, 1, 1, -2, 1, &
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1, -2, 1, 6, -1, 2, -1, 1, &
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2, -1, -1, 6, -2, 1, 1, 1, &
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1, 1, -2, 6, -1, -1, 2, 1, &
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-1, 2, -1, 6, 1, -2, 1, 1, &
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-2, 1, 1, 6, 2, -1, -1, 1, &
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! <10.-2>{10.1} systems, shear = (4(c/a)^2-9)/(4 sqrt(3) c/a)
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! compression in Mg
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1, 0, -1, -2, 1, 0, -1, 1, &
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0, 1, -1, -2, 0, 1, -1, 1, &
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-1, 1, 0, -2, -1, 1, 0, 1, &
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-1, 0, 1, -2, -1, 0, 1, 1, &
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0, -1, 1, -2, 0, -1, 1, 1, &
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1, -1, 0, -2, 1, -1, 0, 1, &
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! <11.-3>{11.2} systems, shear = 2((c/a)^2-2)/(3 c/a)
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! compression in Ti and Zr
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1, 1, -2, -3, 1, 1, -2, 2, &
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-1, 2, -1, -3, -1, 2, -1, 2, &
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-2, 1, 1, -3, -2, 1, 1, 2, &
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-1, -1, 2, -3, -1, -1, 2, 2, &
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1, -2, 1, -3, 1, -2, 1, 2, &
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2, -1, -1, -3, 2, -1, -1, 2 &
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]),shape(system))
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integer :: &
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a, & !< index of active system
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p, & !< index in potential system matrix
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f, & !< index of my family
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s !< index of my system in current family
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a = 0
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do f = 1, size(active,1) !< Loops 1 to 4 for hP
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do s = 1, active(f) !< 1 to 6 two times
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a = a + 1
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p = sum(potential(1:f-1))+s !< 1 to 6 and 13 to 18
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direction = [ system(1,p)*1.5, &
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(system(1,p)+2.0*system(2,p))*sqrt(0.75), &
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system(4,p)*cOverA ] ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(p/a)])
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normal = [ system(5,p), &
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(system(5,p)+2.0*system(6,p))/sqrt(3.0), &
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system(8,p)/cOverA ] ! plane (hkil)->(h (h+2k)/sqrt(3) l/(p/a))
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normal_vector(1:3,a) = normal /norm2(normal)
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write(6,*)'normal vector', normal_vector
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end do
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end do
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do f = 1,size(active,1)
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enddo
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end program corresponcence_matrix
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