mirror of https://gitlab.com/QEF/q-e.git
52 lines
1.3 KiB
Fortran
52 lines
1.3 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_dvscf (dvscfs)
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!-----------------------------------------------------------------------
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!
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! Read the variation of the charge and
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! calculates the local part of the scf potential
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!
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#include "f_defs.h"
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use pwcom
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use kinds, only : DP
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use phcom
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implicit none
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complex(DP) :: dvscfs (nrxxs,3)
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complex(DP) , allocatable :: derho (:,:)
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integer :: ipl
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! counter on the polarizations
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allocate (derho ( nrxx, nspin))
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if ( fildrho.eq.' ') call errore ('set_dvscf','where is fildrho?',1)
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!
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do ipl = 1, 3
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!
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! read from file the variation of the charge
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!
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call davcio_drho (derho (1, 1), lrdrho, iudrho, ipl, -1)
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!
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! Calculates the local part of the scf potential
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!
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call dv_of_drho (0, derho (1, 1), .false.)
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!
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if (doublegrid) then
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call cinterpolate (derho (1, 1), dvscfs (1, ipl), -1)
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else
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call ZCOPY (nrxx, derho (1, 1), 1, dvscfs (1, ipl), 1)
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endif
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end do
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deallocate (derho)
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return
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end subroutine set_dvscf
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