./iterations/neb0_image02_iter5_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 0.366620337791E+03 0.36662E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.431061552184E+01 -0.36231E+03 -0.34948E+03 842 0.195E+02
DAV: 3 -0.949217203757E+02 -0.99232E+02 -0.98882E+02 669 0.116E+02
DAV: 4 -0.994749069800E+02 -0.45532E+01 -0.45423E+01 712 0.282E+01
DAV: 5 -0.995699141602E+02 -0.95007E-01 -0.94967E-01 728 0.358E+00 0.222E+01
DAV: 6 -0.906314625009E+02 0.89385E+01 -0.32077E+01 704 0.305E+01 0.116E+01
DAV: 7 -0.898428459060E+02 0.78862E+00 -0.18708E+00 712 0.644E+00 0.484E+00
DAV: 8 -0.894632835746E+02 0.37956E+00 -0.55264E-01 696 0.429E+00 0.178E+00
DAV: 9 -0.893690074891E+02 0.94276E-01 -0.14520E-01 720 0.169E+00 0.438E-01
DAV: 10 -0.893620479551E+02 0.69595E-02 -0.37701E-02 728 0.101E+00 0.303E-01
DAV: 11 -0.893669685939E+02 -0.49206E-02 -0.93211E-03 669 0.619E-01 0.126E-01
DAV: 12 -0.893689071958E+02 -0.19386E-02 -0.27218E-03 640 0.251E-01 0.112E-01
DAV: 13 -0.893732039265E+02 -0.42967E-02 -0.35020E-03 782 0.420E-01 0.909E-02
DAV: 14 -0.893750455936E+02 -0.18417E-02 -0.70216E-04 704 0.180E-01 0.568E-02
DAV: 15 -0.893771842814E+02 -0.21387E-02 -0.10298E-03 642 0.183E-01 0.335E-02
DAV: 16 -0.893784127801E+02 -0.12285E-02 -0.13524E-04 688 0.859E-02 0.207E-02
DAV: 17 -0.893792865518E+02 -0.87377E-03 -0.20296E-04 733 0.787E-02 0.163E-02
DAV: 18 -0.893797370739E+02 -0.45052E-03 -0.58871E-05 666 0.408E-02 0.852E-03
DAV: 19 -0.893798606325E+02 -0.12356E-03 -0.12597E-05 496 0.217E-02 0.394E-03
DAV: 20 -0.893799555730E+02 -0.94940E-04 -0.20170E-05 500 0.221E-02 0.466E-03
DAV: 21 -0.893799787611E+02 -0.23188E-04 -0.30157E-06 504 0.134E-02 0.315E-03
DAV: 22 -0.893799923679E+02 -0.13607E-04 -0.45642E-06 412 0.116E-02 0.240E-03
DAV: 23 -0.893799944726E+02 -0.21046E-05 -0.88934E-07 512 0.776E-03
1 F= -.89379994E+02 E0= -.89387583E+02 d E =0.227651E-01