diff --git a/Modules/read_namelists.f90 b/Modules/read_namelists.f90 index b762401cc..d772100ae 100644 --- a/Modules/read_namelists.f90 +++ b/Modules/read_namelists.f90 @@ -1587,7 +1587,11 @@ MODULE read_namelists_module calculation == 'phonon' ) THEN ! startingpot = 'file' - startingwfc = 'atomic' + IF (restart_mode == "restart") THEN + startingwfc = 'file' + ELSE + startingwfc = 'atomic' + END IF ! ELSE IF ( restart_mode == "from_scratch" ) THEN ! diff --git a/PW/c_bands.f90 b/PW/c_bands.f90 index 833ca6941..421ab3df4 100644 --- a/PW/c_bands.f90 +++ b/PW/c_bands.f90 @@ -395,6 +395,7 @@ SUBROUTINE c_bands( iter, ik_, dr2 ) ! USE becmod, ONLY : becp, becp_nc USE complex_diis_module, ONLY : cdiisg + USE check_stop, ONLY : check_stop_now ! IMPLICIT NONE ! @@ -747,6 +748,9 @@ SUBROUTINE c_bands( iter, ik_, dr2 ) ! CALL save_in_cbands( iter, ik, dr2 ) ! + IF ( .not.lscf) THEN + IF (check_stop_now() ) call stop_run(.FALSE.) + ENDIF END DO k_loop ! ik_ = 0 diff --git a/PW/electrons.f90 b/PW/electrons.f90 index 3ef6f0bb4..c40e990bf 100644 --- a/PW/electrons.f90 +++ b/PW/electrons.f90 @@ -204,7 +204,9 @@ SUBROUTINE electrons() ! DO idum = 1, niter ! - IF ( check_stop_now() ) RETURN + IF (idum > 1) THEN + IF ( check_stop_now() ) RETURN + END IF ! iter = iter + 1 ! @@ -268,7 +270,9 @@ SUBROUTINE electrons() ! END IF ! - IF ( check_stop_now() ) RETURN + IF (iter > 1) THEN + IF ( check_stop_now() ) RETURN + END IF ! CALL sum_band() !