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24 lines
602 B
Fortran
24 lines
602 B
Fortran
!BEGIN_PROVIDER [ integer, ao_num_per_kpt ]
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! implicit none
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! BEGIN_DOC
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! ! number of aos per kpt.
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! END_DOC
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! ao_num_per_kpt = ao_num/kpt_num
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!END_PROVIDER
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subroutine get_kpt_idx_ao(idx_full,k,i)
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implicit none
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BEGIN_DOC
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! idx_full is ao index in full range (up to ao_num)
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! k is index of the k-point for this ao
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! i is index of this ao within k-point k
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! this assumes that all kpts have the same number of aos
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END_DOC
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integer, intent(in) :: idx_full
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integer, intent(out) :: i,k
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i = mod(idx_full-1,ao_num_per_kpt)+1
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k = (idx_full-1)/ao_num_per_kpt+1
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ASSERT (k <= kpt_num)
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end
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