diff --git a/src/motion/vibrational_analysis.F b/src/motion/vibrational_analysis.F index bca552ab0c..8416b0a54e 100644 --- a/src/motion/vibrational_analysis.F +++ b/src/motion/vibrational_analysis.F @@ -864,31 +864,31 @@ CONTAINS to = MIN(from + 2, nvib) WRITE (UNIT=iw, FMT="(T2,'VIB|',13X,3(8X,I5,8X))") & (icol, icol=from, to) - WRITE (UNIT=iw, FMT="(T2,'VIB|Frequency (cm^-1)',3(1X,ES18.10E3,2X))") & + WRITE (UNIT=iw, FMT="(T2,'VIB|Frequency (cm^-1)',3(1X,ES17.10E2,2X))") & (freq(icol), icol=from, to) IF (ASSOCIATED(intensities_d)) THEN - WRITE (UNIT=iw, FMT="(T2,'VIB|IR int (KM/Mole) ',3(1X,ES18.10E3,2X))") & + WRITE (UNIT=iw, FMT="(T2,'VIB|IR int (KM/Mole) ',3(1X,ES17.10E2,2X))") & (fint*intensities_d(icol)**2, icol=from, to) END IF IF (ASSOCIATED(intensities_p)) THEN - WRITE (UNIT=iw, FMT="(T2,'VIB|Raman (A^4/amu) ',3(1X,ES18.10E3,2X))") & + WRITE (UNIT=iw, FMT="(T2,'VIB|Raman (A^4/amu) ',3(1X,ES17.10E2,2X))") & (pint*intensities_p(icol), icol=from, to) - WRITE (UNIT=iw, FMT="(T2,'VIB|Depol Ratio (P) ',3(1X,ES18.10E3,2X))") & + WRITE (UNIT=iw, FMT="(T2,'VIB|Depol Ratio (P) ',3(1X,ES17.10E2,2X))") & (depol_p(icol), icol=from, to) - WRITE (UNIT=iw, FMT="(T2,'VIB|Depol Ratio (U) ',3(1X,ES18.10E3,2X))") & + WRITE (UNIT=iw, FMT="(T2,'VIB|Depol Ratio (U) ',3(1X,ES17.10E2,2X))") & (depol_u(icol), icol=from, to) END IF - WRITE (UNIT=iw, FMT="(T2,'VIB|Red.Masses (a.u.)',3(1X,ES18.10E3,2X))") & + WRITE (UNIT=iw, FMT="(T2,'VIB|Red.Masses (a.u.)',3(1X,ES17.10E2,2X))") & (m(icol), icol=from, to) - WRITE (UNIT=iw, FMT="(T2,'VIB|Frc consts (a.u.)',3(1X,ES18.10E3,2X))") & + WRITE (UNIT=iw, FMT="(T2,'VIB|Frc consts (a.u.)',3(1X,ES17.10E2,2X))") & (k(icol), icol=from, to) - WRITE (UNIT=iw, FMT="(T2,' ATOM',2X,'EL',7X,3(4X,' X ',1X,' Y ',1X,' Z '))") + WRITE (UNIT=iw, FMT="(T2,' ATOM',2X,'EL',10X,3(3X,' X ',1X,' Y ',1X,' Z '))") DO iatom = 1, natom, 3 katom = iatom/3 IF (MOD(iatom, 3) /= 0) katom = katom + 1 CALL get_atomic_kind(atomic_kind=particles(Mlist(katom))%atomic_kind, & element_symbol=element_symbol) - WRITE (UNIT=iw, FMT="(T2,I5,2X,A2,7X,3(4X,2(F5.2,1X),F5.2))") & + WRITE (UNIT=iw, FMT="(T2,I5,2X,A2,10X,3(3X,2(F5.2,1X),F5.2))") & Mlist(katom), element_symbol, & ((D(iatom + j, icol), j=0, 2), icol=from, to) END DO