./iterations/neb0_image09_iter270_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 0.374012878826E+03 0.37401E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.328442296028E+01 -0.37073E+03 -0.35809E+03 869 0.196E+02
DAV: 3 -0.966503723899E+02 -0.99935E+02 -0.99606E+02 656 0.117E+02
DAV: 4 -0.101264190565E+03 -0.46138E+01 -0.46030E+01 720 0.291E+01
DAV: 5 -0.101355514645E+03 -0.91324E-01 -0.91286E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926770670449E+02 0.86784E+01 -0.30977E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.918102866414E+02 0.86678E+00 -0.17186E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914355316587E+02 0.37475E+00 -0.54309E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913547981798E+02 0.80733E-01 -0.13193E-01 712 0.154E+00 0.421E-01
DAV: 10 -0.913466797152E+02 0.81185E-02 -0.44372E-02 760 0.108E+00 0.301E-01
DAV: 11 -0.913512826988E+02 -0.46030E-02 -0.12658E-02 608 0.586E-01 0.140E-01
DAV: 12 -0.913543125155E+02 -0.30298E-02 -0.27844E-03 620 0.230E-01 0.110E-01
DAV: 13 -0.913579383560E+02 -0.36258E-02 -0.18061E-03 717 0.224E-01 0.431E-02
DAV: 14 -0.913613053326E+02 -0.33670E-02 -0.56664E-04 664 0.134E-01 0.280E-02
DAV: 15 -0.913625590423E+02 -0.12537E-02 -0.11700E-04 712 0.659E-02 0.282E-02
DAV: 16 -0.913638286659E+02 -0.12696E-02 -0.28779E-04 637 0.918E-02 0.192E-02
DAV: 17 -0.913640931562E+02 -0.26449E-03 -0.38185E-05 640 0.502E-02 0.123E-02
DAV: 18 -0.913642975368E+02 -0.20438E-03 -0.48427E-05 637 0.370E-02 0.102E-02
DAV: 19 -0.913644323749E+02 -0.13484E-03 -0.11973E-05 445 0.191E-02 0.506E-03
DAV: 20 -0.913644709362E+02 -0.38561E-04 -0.11362E-05 480 0.174E-02 0.205E-03
DAV: 21 -0.913644918087E+02 -0.20872E-04 -0.31269E-06 420 0.759E-03 0.155E-03
DAV: 22 -0.913644937371E+02 -0.19284E-05 -0.64730E-07 512 0.370E-03
1 F= -.91364494E+02 E0= -.91369327E+02 d E =0.144984E-01