diff --git a/PW/src/input.f90 b/PW/src/input.f90 index fe5595ba3..72594f146 100644 --- a/PW/src/input.f90 +++ b/PW/src/input.f90 @@ -24,7 +24,7 @@ SUBROUTINE iosys() USE funct, ONLY : dft_has_finite_size_correction, & set_finite_size_volume, get_inlc USE funct, ONLY: set_exx_fraction, set_screening_parameter - USE control_flags, ONLY: adapt_thr, tr2_init, tr2_multi, scf_must_converge + USE control_flags, ONLY: adapt_thr, tr2_init, tr2_multi USE constants, ONLY : autoev, eV_to_kelvin, pi, rytoev, & ry_kbar, amu_ry, bohr_radius_angs, eps8 USE mp_global, ONLY : npool, nproc_pool @@ -176,8 +176,8 @@ SUBROUTINE iosys() ldamped, lbands, llang, & lconstrain, restart, twfcollect, & llondon, do_makov_payne, & - lecrpa_ => lecrpa, & - scf_must_converge_ => scf_must_converge + lecrpa_ => lecrpa + USE control_flags, ONLY: scf_must_converge_ => scf_must_converge ! USE wvfct, ONLY : nbnd_ => nbnd, & ecutwfc_ => ecutwfc, & @@ -284,7 +284,7 @@ SUBROUTINE iosys() tqr, diago_thr_init, diago_cg_maxiter, & diago_david_ndim, diagonalization, & diago_full_acc, startingwfc, startingpot, & - real_space + real_space, scf_must_converge USE input_parameters, ONLY : adaptive_thr, conv_thr_init, conv_thr_multi ! ! ... IONS namelist @@ -902,7 +902,6 @@ SUBROUTINE iosys() ! tr2 = conv_thr niter = electron_maxstep - scf_must_converge_ = scf_must_converge adapt_thr = adaptive_thr tr2_init = conv_thr_init tr2_multi = conv_thr_multi @@ -1105,6 +1104,7 @@ SUBROUTINE iosys() nstep_ = nstep iprint_ = iprint lecrpa_ = lecrpa + scf_must_converge_ = scf_must_converge ! nat_ = nat ntyp_ = ntyp