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@ -95,9 +95,9 @@ module mode_create
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do inod = 1, 8
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do i = 1,3
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if(is_equal(cubic_cell(i, inod),0.0_dp)) then
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adjustVar(i,inod) = -0.5_dp*esize
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adjustVar(i,inod) = -0.5_dp
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else
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adjustVar(i, inod) = 0.5_dp*esize
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adjustVar(i, inod) = 0.5_dp
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end if
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end do
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end do
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@ -113,7 +113,7 @@ module mode_create
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do inod = 1, max_ng_node
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do ibasis = 1, basisnum(1)
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r_node_temp(:,ibasis,inod) = lattice_parameter*matmul(orient, &
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matmul(fcc_mat, esize*(cubic_cell(:,inod)+adjustVar(:,inod)))) &
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matmul(fcc_mat, (esize+1)*cubic_cell(:,inod)+adjustVar(:,inod))) &
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+ basis_pos(:,ibasis,1)
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end do
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end do
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