iterations/neb0_image03_iter167_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.364214753540E+03 0.36421E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.105766050542E+00 -0.36411E+03 -0.35386E+03 869 0.195E+02
DAV: 3 -0.961657122246E+02 -0.96271E+02 -0.95969E+02 677 0.115E+02
DAV: 4 -0.100246826139E+03 -0.40811E+01 -0.40711E+01 712 0.270E+01
DAV: 5 -0.100327012680E+03 -0.80187E-01 -0.80153E-01 736 0.339E+00 0.222E+01
DAV: 6 -0.917144705236E+02 0.86125E+01 -0.30927E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908755671030E+02 0.83890E+00 -0.18263E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.904782112668E+02 0.39736E+00 -0.54631E-01 704 0.426E+00 0.169E+00
DAV: 9 -0.903795593666E+02 0.98652E-01 -0.12978E-01 720 0.204E+00 0.446E-01
DAV: 10 -0.903715067112E+02 0.80527E-02 -0.53734E-02 712 0.130E+00 0.362E-01
DAV: 11 -0.903760455147E+02 -0.45388E-02 -0.19018E-02 605 0.866E-01 0.193E-01
DAV: 12 -0.903764627555E+02 -0.41724E-03 -0.61953E-03 648 0.497E-01 0.155E-01
DAV: 13 -0.903801421438E+02 -0.36794E-02 -0.97214E-03 637 0.702E-01 0.123E-01
DAV: 14 -0.903830312771E+02 -0.28891E-02 -0.19537E-03 672 0.281E-01 0.869E-02
DAV: 15 -0.903853887860E+02 -0.23575E-02 -0.89364E-04 653 0.154E-01 0.361E-02
DAV: 16 -0.903872811777E+02 -0.18924E-02 -0.53903E-04 672 0.119E-01 0.292E-02
DAV: 17 -0.903884460116E+02 -0.11648E-02 -0.12528E-04 656 0.771E-02 0.226E-02
DAV: 18 -0.903889926483E+02 -0.54664E-03 -0.25153E-04 669 0.907E-02 0.147E-02
DAV: 19 -0.903890821723E+02 -0.89524E-04 -0.26731E-05 592 0.397E-02 0.668E-03
DAV: 20 -0.903891861775E+02 -0.10401E-03 -0.30958E-05 618 0.257E-02 0.527E-03
DAV: 21 -0.903892295584E+02 -0.43381E-04 -0.37623E-06 464 0.137E-02 0.342E-03
DAV: 22 -0.903892492713E+02 -0.19713E-04 -0.11069E-05 488 0.215E-02 0.468E-03
DAV: 23 -0.903892607117E+02 -0.11440E-04 -0.26974E-06 448 0.101E-02 0.402E-03
DAV: 24 -0.903892635256E+02 -0.28139E-05 -0.21020E-06 488 0.978E-03
1 F= -.90389264E+02 E0= -.90394399E+02 d E =0.154052E-01