mirror of https://gitlab.com/QEF/q-e.git
46 lines
1.1 KiB
Fortran
46 lines
1.1 KiB
Fortran
!
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! Copyright (C) 2001-2004 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 s_1psi( lda, n, psi, spsi )
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!-----------------------------------------------------------------------
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!
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! ... spsi = S*psi for one wavefunction
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! ... Wrapper routine - calls ccalbec and s_psi
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!
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USE kinds, ONLY : DP
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USE wvfct, ONLY : npwx
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USE uspp, ONLY : vkb, nkb
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USE wvfct, ONLY : gamma_only
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USE becmod, ONLY : becp, rbecp
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!
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IMPLICIT NONE
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!
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INTEGER :: lda, n
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COMPLEX(KIND=DP) :: psi(n), spsi(n)
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!
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!
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CALL start_clock( 's_1psi' )
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!
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IF ( gamma_only ) THEN
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!
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CALL ccalbec( nkb, npwx, n, 1, rbecp, vkb, psi )
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!
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ELSE
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!
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CALL ccalbec( nkb, npwx, n, 1, becp, vkb, psi )
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!
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END IF
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!
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CALL s_psi( lda, n, 1, psi, spsi )
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!
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CALL stop_clock( 's_1psi' )
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!
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RETURN
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!
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END SUBROUTINE s_1psi
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