./iterations/neb0_image04_iter298_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 0.365398853240E+03 0.36540E+03 -0.14306E+04 624 0.799E+02
DAV: 2 0.623775539028E+00 -0.36478E+03 -0.35293E+03 869 0.195E+02
DAV: 3 -0.959833890733E+02 -0.96607E+02 -0.96302E+02 653 0.115E+02
DAV: 4 -0.100325245443E+03 -0.43419E+01 -0.43339E+01 720 0.282E+01
DAV: 5 -0.100410229497E+03 -0.84984E-01 -0.84957E-01 736 0.353E+00 0.223E+01
DAV: 6 -0.916828081271E+02 0.87274E+01 -0.31452E+01 672 0.300E+01 0.117E+01
DAV: 7 -0.908356423799E+02 0.84717E+00 -0.18030E+00 720 0.655E+00 0.485E+00
DAV: 8 -0.904322796840E+02 0.40336E+00 -0.52973E-01 704 0.452E+00 0.183E+00
DAV: 9 -0.903433584986E+02 0.88921E-01 -0.15618E-01 720 0.225E+00 0.608E-01
DAV: 10 -0.903268967769E+02 0.16462E-01 -0.37430E-02 720 0.105E+00 0.365E-01
DAV: 11 -0.903294151103E+02 -0.25183E-02 -0.18130E-02 680 0.772E-01 0.324E-01
DAV: 12 -0.903306107287E+02 -0.11956E-02 -0.36269E-03 688 0.618E-01 0.155E-01
DAV: 13 -0.903341824355E+02 -0.35717E-02 -0.49456E-03 615 0.450E-01 0.117E-01
DAV: 14 -0.903364922486E+02 -0.23098E-02 -0.12065E-03 693 0.223E-01 0.728E-02
DAV: 15 -0.903401998932E+02 -0.37076E-02 -0.18332E-03 633 0.233E-01 0.640E-02
DAV: 16 -0.903417751685E+02 -0.15753E-02 -0.37707E-04 816 0.168E-01 0.237E-02
DAV: 17 -0.903434766064E+02 -0.17014E-02 -0.47053E-04 649 0.105E-01 0.308E-02
DAV: 18 -0.903440880358E+02 -0.61143E-03 -0.53290E-05 672 0.506E-02 0.248E-02
DAV: 19 -0.903444065332E+02 -0.31850E-03 -0.18261E-04 652 0.865E-02 0.145E-02
DAV: 20 -0.903445599806E+02 -0.15345E-03 -0.34045E-05 538 0.419E-02 0.811E-03
DAV: 21 -0.903446172446E+02 -0.57264E-04 -0.13084E-05 472 0.174E-02 0.622E-03
DAV: 22 -0.903446391719E+02 -0.21927E-04 -0.43502E-06 444 0.129E-02 0.206E-03
DAV: 23 -0.903446506491E+02 -0.11477E-04 -0.42998E-06 448 0.104E-02 0.177E-03
DAV: 24 -0.903446520937E+02 -0.14446E-05 -0.98194E-07 496 0.500E-03
1 F= -.90344652E+02 E0= -.90352928E+02 d E =0.248276E-01