./iterations/neb0_image07_iter28_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 0.374236805770E+03 0.37424E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.354958218018E+01 -0.37069E+03 -0.35774E+03 861 0.195E+02
DAV: 3 -0.961779689202E+02 -0.99728E+02 -0.99385E+02 664 0.117E+02
DAV: 4 -0.100585069741E+03 -0.44071E+01 -0.43953E+01 728 0.283E+01
DAV: 5 -0.100670406134E+03 -0.85336E-01 -0.85311E-01 728 0.356E+00 0.228E+01
DAV: 6 -0.919173706018E+02 0.87530E+01 -0.30614E+01 679 0.304E+01 0.119E+01
DAV: 7 -0.910268956594E+02 0.89047E+00 -0.17197E+00 720 0.627E+00 0.481E+00
DAV: 8 -0.906457743811E+02 0.38112E+00 -0.56397E-01 704 0.410E+00 0.166E+00
DAV: 9 -0.905580654841E+02 0.87709E-01 -0.13269E-01 704 0.156E+00 0.436E-01
DAV: 10 -0.905473914001E+02 0.10674E-01 -0.42010E-02 736 0.103E+00 0.297E-01
DAV: 11 -0.905521523806E+02 -0.47610E-02 -0.12097E-02 599 0.588E-01 0.164E-01
DAV: 12 -0.905543498698E+02 -0.21975E-02 -0.20192E-03 672 0.215E-01 0.113E-01
DAV: 13 -0.905592572663E+02 -0.49074E-02 -0.31558E-03 628 0.291E-01 0.654E-02
DAV: 14 -0.905611389859E+02 -0.18817E-02 -0.42608E-04 704 0.144E-01 0.300E-02
DAV: 15 -0.905644388612E+02 -0.32999E-02 -0.73246E-04 641 0.135E-01 0.338E-02
DAV: 16 -0.905647365856E+02 -0.29772E-03 -0.51091E-05 664 0.596E-02 0.213E-02
DAV: 17 -0.905656077519E+02 -0.87117E-03 -0.21481E-04 707 0.902E-02 0.147E-02
DAV: 18 -0.905660073987E+02 -0.39965E-03 -0.39159E-05 690 0.317E-02 0.133E-02
DAV: 19 -0.905661542904E+02 -0.14689E-03 -0.18016E-05 536 0.207E-02 0.701E-03
DAV: 20 -0.905662131093E+02 -0.58819E-04 -0.23215E-05 505 0.321E-02 0.500E-03
DAV: 21 -0.905662425388E+02 -0.29430E-04 -0.54429E-06 456 0.141E-02 0.416E-03
DAV: 22 -0.905662488160E+02 -0.62772E-05 -0.24612E-06 496 0.845E-03
1 F= -.90566249E+02 E0= -.90571425E+02 d E =0.155300E-01