mirror of https://gitlab.com/QEF/q-e.git
47 lines
1.4 KiB
Fortran
47 lines
1.4 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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subroutine set_kup_and_kdw (xk, wk, isk, nks, npk)
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!-----------------------------------------------------------------------
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! This routine sets the k vectors for the up and down spin wfc
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!
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! on input: xk and wk contain k-points and corresponding weights
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!
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! on output: the number of points is doubled and xk and wk in the
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! first (nks/2) positions correspond to up spin
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! those in the second (nks/2) ones correspond to down spin
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!
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USE kinds, only : DP
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implicit none
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!
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! I/O variables first
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!
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integer :: npk, isk (npk), nks
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! input: maximum allowed number of k-points
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! output: spin associated to a given k-point
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! input-output: starting and ending number of k-points
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real(kind=DP) :: xk (3, npk), wk (npk)
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! input-output: coordinates of k points
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! input-output: weights of k points
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!
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integer :: ik
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!
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!
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if (2*nks > npk) call errore ('set_kup&kdw','too many k points',nks)
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do ik = 1, nks
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xk(:,ik+nks)= xk(:,ik)
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wk (ik+nks) = wk(ik)
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isk(ik) = 1
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isk(ik+nks) = 2
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enddo
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nks = 2 * nks
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return
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end subroutine set_kup_and_kdw
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