iterations/neb0_image01_iter134_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 0.366153022211E+03 0.36615E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.332634616435E+01 -0.36283E+03 -0.34966E+03 839 0.195E+02
DAV: 3 -0.957012646307E+02 -0.99028E+02 -0.98685E+02 674 0.116E+02
DAV: 4 -0.100214016271E+03 -0.45128E+01 -0.45027E+01 704 0.282E+01
DAV: 5 -0.100303980034E+03 -0.89964E-01 -0.89916E-01 744 0.354E+00 0.222E+01
DAV: 6 -0.916819608502E+02 0.86220E+01 -0.31129E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908768356361E+02 0.80513E+00 -0.18268E+00 720 0.638E+00 0.484E+00
DAV: 8 -0.904986515830E+02 0.37818E+00 -0.55583E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904151397271E+02 0.83512E-01 -0.13567E-01 712 0.164E+00 0.425E-01
DAV: 10 -0.904101389214E+02 0.50008E-02 -0.45309E-02 712 0.123E+00 0.315E-01
DAV: 11 -0.904140796978E+02 -0.39408E-02 -0.66124E-03 608 0.488E-01 0.136E-01
DAV: 12 -0.904176860647E+02 -0.36064E-02 -0.69207E-03 629 0.484E-01 0.129E-01
DAV: 13 -0.904202663435E+02 -0.25803E-02 -0.15075E-03 848 0.311E-01 0.741E-02
DAV: 14 -0.904232338103E+02 -0.29675E-02 -0.13550E-03 642 0.175E-01 0.588E-02
DAV: 15 -0.904252114742E+02 -0.19777E-02 -0.37271E-04 672 0.115E-01 0.469E-02
DAV: 16 -0.904265776186E+02 -0.13661E-02 -0.79846E-04 661 0.168E-01 0.349E-02
DAV: 17 -0.904273478049E+02 -0.77019E-03 -0.14440E-04 733 0.864E-02 0.242E-02
DAV: 18 -0.904275672130E+02 -0.21941E-03 -0.67915E-05 672 0.405E-02 0.116E-02
DAV: 19 -0.904277629107E+02 -0.19570E-03 -0.51400E-05 633 0.355E-02 0.675E-03
DAV: 20 -0.904277811465E+02 -0.18236E-04 -0.39914E-06 520 0.146E-02 0.674E-03
DAV: 21 -0.904278202110E+02 -0.39065E-04 -0.68004E-06 398 0.148E-02 0.498E-03
DAV: 22 -0.904278337058E+02 -0.13495E-04 -0.40812E-06 477 0.141E-02 0.241E-03
DAV: 23 -0.904278355875E+02 -0.18817E-05 -0.30635E-06 528 0.102E-02
1 F= -.90427836E+02 E0= -.90433126E+02 d E =0.158707E-01