./iterations/neb0_image01_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 0.365995811607E+03 0.36600E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.302631200994E+01 -0.36297E+03 -0.34970E+03 847 0.195E+02
DAV: 3 -0.956167823326E+02 -0.98643E+02 -0.98297E+02 672 0.116E+02
DAV: 4 -0.100157979728E+03 -0.45412E+01 -0.45310E+01 685 0.286E+01
DAV: 5 -0.100248607179E+03 -0.90627E-01 -0.90572E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916310894259E+02 0.86175E+01 -0.31134E+01 709 0.298E+01 0.116E+01
DAV: 7 -0.908207125990E+02 0.81038E+00 -0.18259E+00 712 0.635E+00 0.483E+00
DAV: 8 -0.904392398349E+02 0.38147E+00 -0.56432E-01 704 0.432E+00 0.168E+00
DAV: 9 -0.903529854007E+02 0.86254E-01 -0.13817E-01 712 0.166E+00 0.432E-01
DAV: 10 -0.903471220382E+02 0.58634E-02 -0.44396E-02 728 0.125E+00 0.314E-01
DAV: 11 -0.903508369893E+02 -0.37150E-02 -0.64587E-03 608 0.464E-01 0.150E-01
DAV: 12 -0.903543128560E+02 -0.34759E-02 -0.70636E-03 626 0.493E-01 0.127E-01
DAV: 13 -0.903570653509E+02 -0.27525E-02 -0.13386E-03 816 0.304E-01 0.761E-02
DAV: 14 -0.903600367835E+02 -0.29714E-02 -0.15253E-03 637 0.185E-01 0.581E-02
DAV: 15 -0.903621521708E+02 -0.21154E-02 -0.34506E-04 728 0.119E-01 0.406E-02
DAV: 16 -0.903635211119E+02 -0.13689E-02 -0.64372E-04 653 0.145E-01 0.351E-02
DAV: 17 -0.903643346949E+02 -0.81358E-03 -0.15341E-04 826 0.872E-02 0.196E-02
DAV: 18 -0.903645493421E+02 -0.21465E-03 -0.38764E-05 688 0.322E-02 0.125E-02
DAV: 19 -0.903647929402E+02 -0.24360E-03 -0.59452E-05 630 0.421E-02 0.654E-03
DAV: 20 -0.903648120430E+02 -0.19103E-04 -0.52215E-06 512 0.138E-02 0.665E-03
DAV: 21 -0.903648591780E+02 -0.47135E-04 -0.72921E-06 389 0.166E-02 0.307E-03
DAV: 22 -0.903648750937E+02 -0.15916E-04 -0.57429E-06 477 0.130E-02 0.258E-03
DAV: 23 -0.903648779873E+02 -0.28936E-05 -0.11651E-06 496 0.583E-03
1 F= -.90364878E+02 E0= -.90370287E+02 d E =0.162274E-01