./iterations/neb0_image06_iter60_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 0.375129611898E+03 0.37513E+03 -0.14308E+04 632 0.799E+02
DAV: 2 0.414105562155E+01 -0.37099E+03 -0.35874E+03 869 0.195E+02
DAV: 3 -0.954738225284E+02 -0.99615E+02 -0.99288E+02 656 0.117E+02
DAV: 4 -0.100030905728E+03 -0.45571E+01 -0.45457E+01 704 0.290E+01
DAV: 5 -0.100124954999E+03 -0.94049E-01 -0.94012E-01 728 0.371E+00 0.225E+01
DAV: 6 -0.915380016048E+02 0.85870E+01 -0.30733E+01 669 0.305E+01 0.117E+01
DAV: 7 -0.907012412730E+02 0.83676E+00 -0.16819E+00 728 0.623E+00 0.481E+00
DAV: 8 -0.903168573620E+02 0.38438E+00 -0.53513E-01 704 0.406E+00 0.164E+00
DAV: 9 -0.902267461049E+02 0.90111E-01 -0.12920E-01 720 0.164E+00 0.429E-01
DAV: 10 -0.902168871417E+02 0.98590E-02 -0.42134E-02 728 0.104E+00 0.309E-01
DAV: 11 -0.902214557492E+02 -0.45686E-02 -0.14191E-02 613 0.763E-01 0.180E-01
DAV: 12 -0.902224933735E+02 -0.10376E-02 -0.33659E-03 690 0.328E-01 0.127E-01
DAV: 13 -0.902272127634E+02 -0.47194E-02 -0.42426E-03 670 0.433E-01 0.977E-02
DAV: 14 -0.902288834087E+02 -0.16706E-02 -0.65762E-04 736 0.175E-01 0.701E-02
DAV: 15 -0.902314630417E+02 -0.25796E-02 -0.96372E-04 642 0.186E-01 0.294E-02
DAV: 16 -0.902337373382E+02 -0.22743E-02 -0.29775E-04 672 0.886E-02 0.254E-02
DAV: 17 -0.902345367942E+02 -0.79946E-03 -0.70456E-05 704 0.483E-02 0.166E-02
DAV: 18 -0.902352610952E+02 -0.72430E-03 -0.17376E-04 639 0.711E-02 0.155E-02
DAV: 19 -0.902353027487E+02 -0.41653E-04 -0.12988E-05 536 0.313E-02 0.106E-02
DAV: 20 -0.902353954215E+02 -0.92673E-04 -0.40052E-05 595 0.358E-02 0.615E-03
DAV: 21 -0.902354450225E+02 -0.49601E-04 -0.79264E-06 469 0.222E-02 0.279E-03
DAV: 22 -0.902354694412E+02 -0.24419E-04 -0.50730E-06 431 0.118E-02 0.172E-03
DAV: 23 -0.902354788476E+02 -0.94064E-05 -0.20115E-06 444 0.688E-03
1 F= -.90235479E+02 E0= -.90242671E+02 d E =0.215754E-01