iterations/neb0_image02_iter48_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 0.368533553809E+03 0.36853E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.469853076756E+01 -0.36384E+03 -0.34906E+03 834 0.195E+02
DAV: 3 -0.956707074587E+02 -0.10037E+03 -0.10003E+03 680 0.117E+02
DAV: 4 -0.100197633319E+03 -0.45269E+01 -0.45168E+01 696 0.283E+01
DAV: 5 -0.100284920938E+03 -0.87288E-01 -0.87247E-01 736 0.354E+00 0.223E+01
DAV: 6 -0.916429421751E+02 0.86420E+01 -0.30985E+01 704 0.300E+01 0.117E+01
DAV: 7 -0.908162233087E+02 0.82672E+00 -0.18436E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904283201392E+02 0.38790E+00 -0.55356E-01 688 0.425E+00 0.170E+00
DAV: 9 -0.903358895683E+02 0.92431E-01 -0.14245E-01 696 0.169E+00 0.435E-01
DAV: 10 -0.903292077702E+02 0.66818E-02 -0.45808E-02 712 0.126E+00 0.317E-01
DAV: 11 -0.903329114647E+02 -0.37037E-02 -0.70718E-03 605 0.476E-01 0.145E-01
DAV: 12 -0.903362437283E+02 -0.33323E-02 -0.65689E-03 621 0.448E-01 0.126E-01
DAV: 13 -0.903390857622E+02 -0.28420E-02 -0.12569E-03 920 0.305E-01 0.756E-02
DAV: 14 -0.903422543178E+02 -0.31686E-02 -0.13244E-03 637 0.177E-01 0.541E-02
DAV: 15 -0.903446180474E+02 -0.23637E-02 -0.37733E-04 658 0.115E-01 0.387E-02
DAV: 16 -0.903460515325E+02 -0.14335E-02 -0.59043E-04 656 0.135E-01 0.336E-02
DAV: 17 -0.903468923891E+02 -0.84086E-03 -0.17234E-04 850 0.904E-02 0.177E-02
DAV: 18 -0.903470015785E+02 -0.10919E-03 -0.30752E-05 720 0.318E-02 0.106E-02
DAV: 19 -0.903472780812E+02 -0.27650E-03 -0.43729E-05 569 0.333E-02 0.417E-03
DAV: 20 -0.903473230457E+02 -0.44965E-04 -0.42348E-06 480 0.114E-02 0.428E-03
DAV: 21 -0.903473760821E+02 -0.53036E-04 -0.65184E-06 409 0.151E-02 0.225E-03
DAV: 22 -0.903473947532E+02 -0.18671E-04 -0.46121E-06 477 0.929E-03 0.268E-03
DAV: 23 -0.903473965480E+02 -0.17947E-05 -0.66845E-07 536 0.540E-03
1 F= -.90347397E+02 E0= -.90353068E+02 d E =0.170142E-01