iterations/neb0_image08_iter263_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 0.374155220728E+03 0.37416E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.395991830223E+01 -0.37020E+03 -0.35785E+03 869 0.196E+02
DAV: 3 -0.965385010159E+02 -0.10050E+03 -0.10017E+03 653 0.117E+02
DAV: 4 -0.101253859992E+03 -0.47154E+01 -0.47034E+01 712 0.293E+01
DAV: 5 -0.101346835665E+03 -0.92976E-01 -0.92923E-01 728 0.372E+00 0.227E+01
DAV: 6 -0.926546165415E+02 0.86922E+01 -0.31013E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.917936843642E+02 0.86093E+00 -0.17215E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914201485512E+02 0.37354E+00 -0.53607E-01 728 0.393E+00 0.162E+00
DAV: 9 -0.913393580728E+02 0.80790E-01 -0.13169E-01 736 0.154E+00 0.420E-01
DAV: 10 -0.913310739092E+02 0.82842E-02 -0.45584E-02 760 0.109E+00 0.304E-01
DAV: 11 -0.913359981356E+02 -0.49242E-02 -0.14922E-02 608 0.635E-01 0.158E-01
DAV: 12 -0.913387381776E+02 -0.27400E-02 -0.28234E-03 626 0.232E-01 0.114E-01
DAV: 13 -0.913425730709E+02 -0.38349E-02 -0.29480E-03 639 0.281E-01 0.597E-02
DAV: 14 -0.913458427450E+02 -0.32697E-02 -0.95947E-04 664 0.180E-01 0.264E-02
DAV: 15 -0.913472484322E+02 -0.14057E-02 -0.17566E-04 664 0.674E-02 0.187E-02
DAV: 16 -0.913481578845E+02 -0.90945E-03 -0.12462E-04 653 0.671E-02 0.992E-03
DAV: 17 -0.913486353458E+02 -0.47746E-03 -0.50262E-05 650 0.295E-02 0.111E-02
DAV: 18 -0.913487375718E+02 -0.10223E-03 -0.82724E-06 504 0.202E-02 0.568E-03
DAV: 19 -0.913488764515E+02 -0.13888E-03 -0.31772E-05 548 0.279E-02 0.594E-03
DAV: 20 -0.913488846736E+02 -0.82221E-05 -0.26486E-06 528 0.142E-02
1 F= -.91348885E+02 E0= -.91353755E+02 d E =0.146117E-01