./iterations/neb0_image07_iter146_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 0.371945225158E+03 0.37195E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.365025738853E+01 -0.36829E+03 -0.35595E+03 869 0.194E+02
DAV: 3 -0.963604041400E+02 -0.10001E+03 -0.99688E+02 680 0.116E+02
DAV: 4 -0.101021855185E+03 -0.46615E+01 -0.46483E+01 712 0.284E+01
DAV: 5 -0.101117243326E+03 -0.95388E-01 -0.95329E-01 720 0.363E+00 0.227E+01
DAV: 6 -0.925077624690E+02 0.86095E+01 -0.30552E+01 704 0.299E+01 0.119E+01
DAV: 7 -0.916454756679E+02 0.86229E+00 -0.16964E+00 720 0.616E+00 0.480E+00
DAV: 8 -0.912694361087E+02 0.37604E+00 -0.54422E-01 720 0.399E+00 0.163E+00
DAV: 9 -0.911876483798E+02 0.81788E-01 -0.12741E-01 720 0.156E+00 0.426E-01
DAV: 10 -0.911785182794E+02 0.91301E-02 -0.39833E-02 741 0.104E+00 0.288E-01
DAV: 11 -0.911830162215E+02 -0.44979E-02 -0.11287E-02 608 0.558E-01 0.146E-01
DAV: 12 -0.911855977216E+02 -0.25815E-02 -0.22924E-03 626 0.250E-01 0.902E-02
DAV: 13 -0.911895108358E+02 -0.39131E-02 -0.16268E-03 639 0.196E-01 0.516E-02
DAV: 14 -0.911922825828E+02 -0.27717E-02 -0.55502E-04 760 0.182E-01 0.364E-02
DAV: 15 -0.911943714425E+02 -0.20889E-02 -0.42177E-04 661 0.106E-01 0.333E-02
DAV: 16 -0.911955174426E+02 -0.11460E-02 -0.14935E-04 685 0.649E-02 0.114E-02
DAV: 17 -0.911963384512E+02 -0.82101E-03 -0.10564E-04 664 0.474E-02 0.137E-02
DAV: 18 -0.911965769431E+02 -0.23849E-03 -0.26741E-05 560 0.344E-02 0.502E-03
DAV: 19 -0.911966719943E+02 -0.95051E-04 -0.22287E-05 480 0.260E-02 0.644E-03
DAV: 20 -0.911966959887E+02 -0.23994E-04 -0.32871E-06 496 0.161E-02 0.338E-03
DAV: 21 -0.911967166186E+02 -0.20630E-04 -0.85838E-06 407 0.182E-02 0.290E-03
DAV: 22 -0.911967210847E+02 -0.44662E-05 -0.13210E-06 480 0.100E-02
1 F= -.91196721E+02 E0= -.91201329E+02 d E =0.138247E-01