mirror of https://gitlab.com/QEF/q-e.git
40 lines
1.1 KiB
Fortran
40 lines
1.1 KiB
Fortran
!
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! Copyright (C) 2001 PWSCF group
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!
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!-----------------------------------------------------------------------
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subroutine setqmod (ngm, xq, g, qmod, qpg)
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!-----------------------------------------------------------------------
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!
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! this subroutine puts in qmod the modulus of q+G for the interpolati
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! table used to compute qgm
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!
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!
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USE kinds, only : DP
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implicit none
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integer :: ngm
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! input: the number of G vectors
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real(kind=DP) :: xq (3), g (3, ngm), qmod (ngm), qpg (3, ngm)
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! input: the q vector
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! input: the G vectors
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! output: the modulus of the G vectors
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! output: the q+G vectors
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integer :: ig
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! counter on G vectors
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do ig = 1, ngm
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qpg (1, ig) = xq (1) + g (1, ig)
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qpg (2, ig) = xq (2) + g (2, ig)
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qpg (3, ig) = xq (3) + g (3, ig)
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qmod (ig) = qpg (1, ig) **2 + qpg (2, ig) **2 + qpg (3, ig) **2
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enddo
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return
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end subroutine setqmod
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