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@ -27,7 +27,6 @@ module mode_create
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integer, intent(out) :: arg_pos
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integer :: i, ibasis, inod
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! real(kind = dp) :: lattice_vec(3), lattice_space(
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real(kind=dp), allocatable :: r_node_temp(:,:,:)
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print *, '-----------------------Mode Create---------------------------'
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@ -69,10 +68,8 @@ module mode_create
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!Find the new maxlen
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maxbd = maxval(matmul(orient,matmul(fcc_mat,box_lat_vert)),2)
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do i = 1, 3
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! box_bd(2*i) = maxval(box_vert(i,:)) - 0.25_dp*lattice_space(i)
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! box_bd(2*i-1) = origin(i)-0.25_dp*lattice_space(i)
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box_bd(2*i) = maxval(box_vert(i,:))
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box_bd(2*i-1) = origin(i)
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box_bd(2*i) = maxval(box_vert(i,:)) - 0.25_dp*lattice_space(i)
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box_bd(2*i-1) = origin(i)-0.25_dp*lattice_space(i)
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end do
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@ -127,6 +124,8 @@ module mode_create
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"element type"
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stop 3
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end select
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!Now that it is built multiply by the lattice parameter
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box_bd = box_bd*lattice_parameter
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print *, "Using mode create, ", lat_ele_num, " elements are created and ", lat_atom_num*basisnum(1), &
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" atoms are created."
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@ -154,13 +153,6 @@ module mode_create
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end if
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end if
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!Now redefine box to ensure periodicity
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call def_new_box
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do i = 1, 3
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end do
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!The last thing we do is setup the sub_box_boundaries
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call alloc_sub_box(1)
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sub_box_num = 1
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