./iterations/neb0_image04_iter122_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 0.369966531374E+03 0.36997E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.381522435111E+01 -0.36615E+03 -0.35430E+03 858 0.195E+02
DAV: 3 -0.954230395980E+02 -0.99238E+02 -0.98924E+02 677 0.116E+02
DAV: 4 -0.998730803966E+02 -0.44500E+01 -0.44393E+01 704 0.281E+01
DAV: 5 -0.999603936432E+02 -0.87313E-01 -0.87273E-01 728 0.354E+00 0.222E+01
DAV: 6 -0.914432078551E+02 0.85172E+01 -0.30023E+01 693 0.294E+01 0.116E+01
DAV: 7 -0.905884749515E+02 0.85473E+00 -0.17438E+00 704 0.626E+00 0.479E+00
DAV: 8 -0.901901668270E+02 0.39831E+00 -0.55517E-01 712 0.420E+00 0.163E+00
DAV: 9 -0.900959364132E+02 0.94230E-01 -0.13191E-01 720 0.178E+00 0.440E-01
DAV: 10 -0.900864256550E+02 0.95108E-02 -0.61465E-02 712 0.147E+00 0.360E-01
DAV: 11 -0.900904437828E+02 -0.40181E-02 -0.15978E-02 632 0.755E-01 0.146E-01
DAV: 12 -0.900922686263E+02 -0.18248E-02 -0.56696E-03 626 0.344E-01 0.148E-01
DAV: 13 -0.900951546753E+02 -0.28860E-02 -0.23508E-03 829 0.383E-01 0.782E-02
DAV: 14 -0.900993377647E+02 -0.41831E-02 -0.15724E-03 639 0.213E-01 0.688E-02
DAV: 15 -0.901015630814E+02 -0.22253E-02 -0.32900E-04 752 0.109E-01 0.485E-02
DAV: 16 -0.901033476941E+02 -0.17846E-02 -0.79678E-04 666 0.163E-01 0.335E-02
DAV: 17 -0.901041814720E+02 -0.83378E-03 -0.15217E-04 808 0.865E-02 0.175E-02
DAV: 18 -0.901046466780E+02 -0.46521E-03 -0.91057E-05 650 0.417E-02 0.101E-02
DAV: 19 -0.901047932505E+02 -0.14657E-03 -0.16152E-05 485 0.216E-02 0.378E-03
DAV: 20 -0.901048692007E+02 -0.75950E-04 -0.11952E-05 442 0.154E-02 0.368E-03
DAV: 21 -0.901048956027E+02 -0.26402E-04 -0.57252E-06 458 0.113E-02 0.291E-03
DAV: 22 -0.901049005062E+02 -0.49036E-05 -0.14144E-06 504 0.681E-03
1 F= -.90104901E+02 E0= -.90109119E+02 d E =0.126559E-01