Phonon glitches after recent changes

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8071 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2011-08-10 20:32:55 +00:00
parent fffea172fa
commit 77b61f6793
3 changed files with 2 additions and 11 deletions

View File

@ -41,7 +41,6 @@ SUBROUTINE check_initial_status(auxdyn)
USE save_ph, ONLY : tmp_dir_save
USE ph_restart, ONLY : ph_readfile, check_status_run, init_status_run, &
ph_writefile
USE start_k, ONLY : nks_start
USE save_ph, ONLY : save_ph_input_variables
USE io_rho_xml, ONLY : write_rho
USE mp_global, ONLY : nimage, my_image_id, intra_image_comm
@ -203,8 +202,6 @@ SUBROUTINE check_initial_status(auxdyn)
!
auxdyn = fildyn
!
IF (nks_start==0) CALL errore('check_initial_status','wrong starting k',1)
!
RETURN
END SUBROUTINE check_initial_status

View File

@ -71,8 +71,6 @@ SUBROUTINE run_pwscf(do_band)
CALL punch( 'all' )
done_bands=.TRUE.
ENDIF
!
CALL seqopn( 4, 'restart', 'UNFORMATTED', exst )
CLOSE( UNIT = 4, STATUS = 'DELETE' )

View File

@ -118,13 +118,11 @@ SUBROUTINE setup_nscf ( newgrid, xq )
!
call s_axis_to_cart ()
IF (okpaw) CALL d_matrix(d1,d2,d3)
!
! ... Input k-points are assumed to be given in the IBZ of the Bravais
! ... lattice, with the full point symmetry of the lattice.
!
if( .NOT. newgrid ) then
if( nks_start > 0 .AND. .NOT. newgrid ) then
!
! In this case I keep the same points of the Charge density
! calculations
@ -136,9 +134,7 @@ SUBROUTINE setup_nscf ( newgrid, xq )
!
! In this case I generate a new set of k-points
!
nks_start=nk1*nk2*nk3
CALL kpoint_grid ( nrot, time_reversal, s, t_rev, bg, nks_start, &
CALL kpoint_grid ( nrot, time_reversal, s, t_rev, bg, nk1*nk2*nk3, &
k1,k2,k3, nk1,nk2,nk3, nkstot, xk, wk)
endif