./iterations/neb0_image03_iter65_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 0.367842728708E+03 0.36784E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.390162313159E+01 -0.36394E+03 -0.35067E+03 845 0.195E+02
DAV: 3 -0.954710595074E+02 -0.99373E+02 -0.99044E+02 664 0.116E+02
DAV: 4 -0.100091313355E+03 -0.46203E+01 -0.46097E+01 712 0.290E+01
DAV: 5 -0.100180435960E+03 -0.89123E-01 -0.89085E-01 736 0.365E+00 0.223E+01
DAV: 6 -0.915893510735E+02 0.85911E+01 -0.30682E+01 696 0.296E+01 0.116E+01
DAV: 7 -0.907392923609E+02 0.85006E+00 -0.18400E+00 696 0.640E+00 0.483E+00
DAV: 8 -0.903351583621E+02 0.40413E+00 -0.57130E-01 712 0.433E+00 0.165E+00
DAV: 9 -0.902404804977E+02 0.94678E-01 -0.14101E-01 696 0.172E+00 0.438E-01
DAV: 10 -0.902326721151E+02 0.78084E-02 -0.47292E-02 712 0.119E+00 0.335E-01
DAV: 11 -0.902360911652E+02 -0.34191E-02 -0.69739E-03 616 0.544E-01 0.118E-01
DAV: 12 -0.902389392064E+02 -0.28480E-02 -0.53315E-03 620 0.329E-01 0.125E-01
DAV: 13 -0.902431614306E+02 -0.42222E-02 -0.21213E-03 840 0.385E-01 0.907E-02
DAV: 14 -0.902458834064E+02 -0.27220E-02 -0.96051E-04 650 0.150E-01 0.641E-02
DAV: 15 -0.902483796994E+02 -0.24963E-02 -0.68750E-04 680 0.152E-01 0.299E-02
DAV: 16 -0.902501379895E+02 -0.17583E-02 -0.31786E-04 672 0.936E-02 0.250E-02
DAV: 17 -0.902508936533E+02 -0.75566E-03 -0.74044E-05 688 0.435E-02 0.184E-02
DAV: 18 -0.902512639905E+02 -0.37034E-03 -0.80234E-05 648 0.479E-02 0.723E-03
DAV: 19 -0.902513456511E+02 -0.81661E-04 -0.10325E-05 512 0.217E-02 0.451E-03
DAV: 20 -0.902514312226E+02 -0.85571E-04 -0.10903E-05 412 0.168E-02 0.370E-03
DAV: 21 -0.902514664023E+02 -0.35180E-04 -0.45832E-06 472 0.988E-03 0.187E-03
DAV: 22 -0.902514769054E+02 -0.10503E-04 -0.27491E-06 472 0.970E-03 0.170E-03
DAV: 23 -0.902514805313E+02 -0.36258E-05 -0.71203E-07 453 0.458E-03
1 F= -.90251481E+02 E0= -.90260193E+02 d E =0.261383E-01