quantum-espresso/PW/init_run.f90

50 lines
1.0 KiB
Fortran

!
! Copyright (C) 2001-2003 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 init_run()
!----------------------------------------------------------------------------
!
USE ions_base, ONLY : nat, tau, ityp
USE force_mod, ONLY : force
USE wvfct, ONLY : gamma_only
USE mp_global, ONLY : MPIME
!
IMPLICIT NONE
!
!
CALL start_clock( 'init_run' )
!
CALL setup()
!
! ... allocate memory for G- and R-space fft arrays
!
CALL allocate_fft()
!
! ... generate reciprocal-lattice vectors and fft indices
!
CALL ggen()
CALL summary()
CALL allocate_nlpot()
CALL allocate_locpot()
CALL allocate_wfc()
!
CALL openfil()
!
CALL hinit0()
CALL potinit()
!
CALL newd()
!
CALL wfcinit()
!
CALL stop_clock ( 'init_run' )
!
RETURN
!
END SUBROUTINE init_run