From e3f64b7ecccc06703198ad959883677bc932b599 Mon Sep 17 00:00:00 2001
From: marcella <40494362+marci73@users.noreply.github.com>
Date: Fri, 24 May 2024 12:05:40 +0200
Subject: [PATCH]  allow for constant efield with Gaussian envelop (#3429)

---
 src/efield_utils.F          | 3 ++-
 src/motion/gopt_f_methods.F | 2 +-
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/src/efield_utils.F b/src/efield_utils.F
index aa16a082d0..19476c59ba 100644
--- a/src/efield_utils.F
+++ b/src/efield_utils.F
@@ -127,10 +127,11 @@ SUBROUTINE make_field(dft_control, field, sim_step, sim_time)
 
       c = 137.03599962875_dp
       field = 0._dp
+      nu = 0.0_dp
       nfield = SIZE(dft_control%efield_fields)
       DO i = 1, nfield
          efield => dft_control%efield_fields(i)%efield
-         IF (.NOT. efield%envelop_id == custom_env) nu = c/(efield%wavelength) !in case of a custom efield we do not need nu
+         IF (.NOT. efield%envelop_id == custom_env .AND. efield%wavelength > EPSILON(0.0_dp)) nu = c/(efield%wavelength) !in case of a custom efield we do not need nu
          strength = SQRT(efield%strength/(3.50944_dp*10.0_dp**16))
          IF (DOT_PRODUCT(efield%polarisation, efield%polarisation) == 0) THEN
             pol(:) = 1.0_dp/3.0_dp
diff --git a/src/motion/gopt_f_methods.F b/src/motion/gopt_f_methods.F
index 0e4337e6db..866fa7e960 100644
--- a/src/motion/gopt_f_methods.F
+++ b/src/motion/gopt_f_methods.F
@@ -621,7 +621,7 @@ SUBROUTINE check_converg(ndf, dr, g, output_unit, conv, gopt_param, max_memory,
 
          ELSE
             WRITE (UNIT=output_unit, FMT="(T2,2A)") &
-               " Conv. for gradients        =     ", &
+               " Conv. for RMS gradients        =     ", &
                "              NO"
          END IF
          IF (PRESENT(pres_diff) .AND. PRESENT(pres_tol)) THEN