mirror of https://gitlab.com/QEF/q-e.git
38 lines
944 B
Fortran
38 lines
944 B
Fortran
!
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! Copyright (C) 2005 Quantum-ESPRESSO 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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MODULE nmr_mod
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!
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! Extra variable needed to describe nmr
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!
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USE kinds, ONLY : DP
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IMPLICIT NONE
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SAVE
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!
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INTEGER, ALLOCATABLE :: &
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igk_q(:) ! correspondence k+q+G <-> G
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REAL(DP), ALLOCATABLE :: &
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g2kin_q(:) ! kinetic energy for k+q
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COMPLEX(DP), ALLOCATABLE :: &
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vkb_q(:,:) ! all beta functions in reciprocal space for k+q
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CONTAINS
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SUBROUTINE init_nmr()
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USE wvfct, only: npwx
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USE uspp, ONLY : nkb
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IMPLICIT NONE
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allocate (igk_q(npwx))
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allocate (g2kin_q(npwx))
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allocate (vkb_q(npwx, nkb))
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end SUBROUTINE init_nmr
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end MODULE nmr_mod
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