Print input selection for PERIODIC_EFIELD in output

cp2k · Jun 30, 2022 · fb5b8f2 · fb5b8f2
1 parent 32ccd55
commit fb5b8f2
Showing 1 changed file with 27 additions and 0 deletions.
diff --git a/src/cp_control_utils.F b/src/cp_control_utils.F
@@ -1577,8 +1577,33 @@ SUBROUTINE write_dft_control(dft_control, dft_section)
             CALL section_release(section)
          END IF
 
+         WRITE (UNIT=output_unit, FMT="(A)") ""
          CALL xc_write(output_unit, xc_section, dft_control%lsd)
 
+         IF (dft_control%apply_period_efield) THEN
+            WRITE (UNIT=output_unit, FMT="(A)") ""
+            IF (dft_control%period_efield%displacement_field) THEN
+               WRITE (UNIT=output_unit, FMT="(T2,A)") &
+                  "PERIODIC_EFIELD| Use displacement field formulation"
+               WRITE (UNIT=output_unit, FMT="(T2,A,T66,1X,ES14.6)") &
+                  "PERIODIC_EFIELD| Displacement field filter: x", &
+                  dft_control%period_efield%d_filter(1), &
+                  "PERIODIC_EFIELD|                            y", &
+                  dft_control%period_efield%d_filter(2), &
+                  "PERIODIC_EFIELD|                            z", &
+                  dft_control%period_efield%d_filter(3)
+            END IF
+            WRITE (UNIT=output_unit, FMT="(T2,A,T66,1X,ES14.6)") &
+               "PERIODIC_EFIELD| Polarisation vector:       x", &
+               dft_control%period_efield%polarisation(1), &
+               "PERIODIC_EFIELD|                            y", &
+               dft_control%period_efield%polarisation(2), &
+               "PERIODIC_EFIELD|                            z", &
+               dft_control%period_efield%polarisation(3), &
+               "PERIODIC_EFIELD| Intensity [a.u.]:", &
+               dft_control%period_efield%strength
+         END IF
+
          IF (dft_control%do_sccs) THEN
             IF (dft_control%qs_control%gapw) THEN
                CPABORT("SCCS is not yet implemented with GAPW")
@@ -1652,6 +1677,8 @@ SUBROUTINE write_dft_control(dft_control, dft_section)
                dft_control%sccs_control%delta_rho
          END IF
 
+         WRITE (UNIT=output_unit, FMT="(A)") ""
+
       END IF
 
       CALL cp_print_key_finished_output(output_unit, logger, dft_section, &