quantum-espresso/PW/s_1psi.f90

28 lines
804 B
Fortran

!
! Copyright (C) 2001 PWSCF group
! This file is distributed under the terms of the
! GNU General Public License. See the file `License'
! in the root directory of the present distribution,
! or http://www.gnu.org/copyleft/gpl.txt .
!
!-----------------------------------------------------------------------
subroutine s_1psi (lda, n, psi, spsi)
!-----------------------------------------------------------------------
!
! spsi = S*psi for one wavefunction
! Wrapper routine - calls ccalbec and s_psi
!
use pwcom
use becmod
implicit none
!
integer :: lda, n
complex(kind=DP) :: psi (n), spsi (n)
!
call start_clock ('s_1psi')
call ccalbec (nkb, npwx, n, 1, becp, vkb, psi)
call s_psi (lda, n, 1, psi, spsi)
call stop_clock ('s_1psi')
return
end subroutine s_1psi