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fixed incorrect index
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@ -481,7 +481,7 @@ BEGIN_PROVIDER [ complex*16, S_half_kpts, (ao_num_per_kpt,ao_num_per_kpt,kpt_num
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allocate(U(ao_num_per_kpt,ao_num_per_kpt),Vt(ao_num_per_kpt,ao_num_per_kpt),D(ao_num_per_kpt))
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allocate(U(ao_num_per_kpt,ao_num_per_kpt),Vt(ao_num_per_kpt,ao_num_per_kpt),D(ao_num_per_kpt))
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do kk=1,kpt_num
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do kk=1,kpt_num
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call svd_complex(ao_overlap_kpts(1,1,k),size(ao_overlap_kpts,1),U,size(U,1),D,Vt,size(Vt,1),ao_num_per_kpt,ao_num_per_kpt)
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call svd_complex(ao_overlap_kpts(1,1,kk),size(ao_overlap_kpts,1),U,size(U,1),D,Vt,size(Vt,1),ao_num_per_kpt,ao_num_per_kpt)
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do i=1,ao_num_per_kpt
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do i=1,ao_num_per_kpt
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D(i) = dsqrt(D(i))
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D(i) = dsqrt(D(i))
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