quantum-espresso/GWW/bse/openfil_bse.f90

37 lines
960 B
Fortran

SUBROUTINE openfil_bse()
!
! ... This routine opens all files needed to the self consistent run,
! ... sets various file names, units, record lengths
USE wvfct, ONLY : nbnd, npwx
USE io_files, ONLY : prefix, iunwfc, nwordwfc,nwordatwfc, diropn
USE noncollin_module, ONLY : npol
USE basis, ONLY : natomwfc
USE ions_base, ONLY : nat, ityp
USE noncollin_module, ONLY : noncolin
USE uspp_param, ONLY : n_atom_wfc
IMPLICIT NONE
!
LOGICAL :: exst
!
!
! ... nwordwfc is the record length for the direct-access file
! ... containing wavefunctions
!
nwordwfc = nbnd * npwx * npol
!
CALL diropn( iunwfc, 'wfc', 2*nwordwfc, exst )
!
IF ( .NOT. exst ) THEN
call errore ('openfil_pw4gww','file '//TRIM( prefix )//'.wfc'//' not found',1)
END IF
natomwfc = n_atom_wfc( nat, ityp, noncolin )
nwordatwfc = 2*npwx*natomwfc*npol
RETURN
!
END SUBROUTINE openfil_bse