quantum-espresso/PW/h_1psi.f90

29 lines
879 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 h_1psi (lda, n, psi, hpsi, spsi)
!-----------------------------------------------------------------------
!
! This routine applies the Hamiltonian and the S matrix
! to a vector psi and puts the result in hpsi and spsi
! Wrapper routine - calls h_psi and s_psi
USE kinds, only: DP
implicit none
!
integer :: lda, n
complex(kind=DP) :: psi (n), hpsi (n), spsi(n)
!
call start_clock ('h_1psi')
call h_psi (lda, n, 1, psi, hpsi)
call s_psi (lda, n, 1, psi, spsi)
call stop_clock ('h_1psi')
return
end subroutine h_1psi