./iterations/neb0_image03_iter264_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 0.363264951076E+03 0.36326E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.144179134710E+01 -0.36182E+03 -0.35051E+03 845 0.195E+02
DAV: 3 -0.959197719420E+02 -0.97362E+02 -0.97049E+02 661 0.116E+02
DAV: 4 -0.100319961341E+03 -0.44002E+01 -0.43900E+01 712 0.283E+01
DAV: 5 -0.100406935217E+03 -0.86974E-01 -0.86947E-01 744 0.356E+00 0.223E+01
DAV: 6 -0.917258409266E+02 0.86811E+01 -0.31334E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908807748651E+02 0.84507E+00 -0.17988E+00 712 0.637E+00 0.485E+00
DAV: 8 -0.904871310069E+02 0.39364E+00 -0.56352E-01 696 0.432E+00 0.170E+00
DAV: 9 -0.903960634155E+02 0.91068E-01 -0.13762E-01 712 0.168E+00 0.443E-01
DAV: 10 -0.903898227050E+02 0.62407E-02 -0.47985E-02 712 0.127E+00 0.336E-01
DAV: 11 -0.903933626456E+02 -0.35399E-02 -0.66079E-03 624 0.563E-01 0.140E-01
DAV: 12 -0.903972719159E+02 -0.39093E-02 -0.74373E-03 621 0.428E-01 0.132E-01
DAV: 13 -0.904011633970E+02 -0.38915E-02 -0.18697E-03 904 0.342E-01 0.876E-02
DAV: 14 -0.904042330265E+02 -0.30696E-02 -0.12531E-03 645 0.162E-01 0.633E-02
DAV: 15 -0.904065315764E+02 -0.22985E-02 -0.47458E-04 688 0.122E-01 0.351E-02
DAV: 16 -0.904078847315E+02 -0.13532E-02 -0.44955E-04 664 0.110E-01 0.299E-02
DAV: 17 -0.904087331649E+02 -0.84843E-03 -0.17569E-04 719 0.840E-02 0.108E-02
DAV: 18 -0.904090060091E+02 -0.27284E-03 -0.55037E-05 688 0.371E-02 0.100E-02
DAV: 19 -0.904091064272E+02 -0.10042E-03 -0.90982E-06 464 0.187E-02 0.462E-03
DAV: 20 -0.904091934431E+02 -0.87016E-04 -0.18937E-05 498 0.209E-02 0.382E-03
DAV: 21 -0.904092231524E+02 -0.29709E-04 -0.33253E-06 485 0.867E-03 0.292E-03
DAV: 22 -0.904092282940E+02 -0.51416E-05 -0.16583E-06 520 0.738E-03
1 F= -.90409228E+02 E0= -.90416741E+02 d E =0.225389E-01